SCHEMBL15536797

SCHEMBL15536797

CC(=C1CCNCC1)c1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.41
PROKR1 Q8TCW9 1/20 0.46
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5314183 0.77 LMNA (0.53) PRSS1ACRKMT2ACYP3A4MAPT
Aziridine SCHEMBL5185484 0.77 ALDH1A1 (0.50) MAPTKDM4ELMNAHTTCYP2D6
1,4-Dichlorobenzene SCHEMBL29046429 0.77 LMNA (0.53) PRSS1ACRKMT2ACYP3A4MAPT
Piperazine SCHEMBL7635861 0.75 ALDH1A1 (0.49) MAPTKDM4ELMNAHTTCYP2D6
Piperazine SCHEMBL5875357 0.75 ALDH1A1 (0.49) MAPTKDM4ELMNAHTTCYP2D6
SCHEMBL16651220 0.75 PROKR1 (0.47) PROKR1PRSS1ACRKMT2ACYP3A4
SCHEMBL3739461 0.74 MAPT (0.44) MAPTKDM4ELMNAHTTCYP2D6
SCHEMBL15536798 0.74 BCHE (0.44) KMT2ACYP3A4MAPTLMNAHTT
SCHEMBL15006564 0.73 LMNA (0.42) MAPTKDM4ELMNAHTTCYP2D6
Pyrrolidine SCHEMBL2531422 0.72 ALDH1A1 (0.46) KMT2AMAPTKDM4ELMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054474-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-06 US disclosed
US-20230073334-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2023-03-09 US disclosed
US-11512066-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-29 US disclosed
US-20200190059-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2020-06-18 US disclosed
US-10544126-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-01-28 US disclosed
US-10335402-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated gastrointestinal disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-02 US disclosed
US-10308635-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-20190084962-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-21 US disclosed
US-10208016-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-19 US disclosed
US-10167273-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-01 US disclosed
EP-3218363-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS Takeda Pharmaceutical Company Limited (JP) 2017-09-20 EP disclosed
US-20160376256-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-29 US disclosed
US-9475795-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
WO-2016075457-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2016-05-19 WO disclosed
US-20160122317-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-05 US disclosed
EP-3010900-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS Takeda Pharmaceutical Company Limited (JP) 2016-04-27 EP disclosed
US-20150111922-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-23 US disclosed
EP-2855449-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
WO-2014202999-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS TAKEDA CAMBRIDGE LIMITED (GB) 2014-12-24 WO disclosed
WO-2013179024-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190084962-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 OPRM1 665/4885PROKR1 1/4885PRSS1 1289/4885
US-20230073334-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 OPRM1 589/4885PROKR1 1/4885PRSS1 1220/4885
US-20160122317-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS GIPR, PROKR1, PROKR2 OPRM1 49/4885PROKR1 2/4885PRSS1 919/4885
US-12054474-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 OPRM1 589/4885PROKR1 1/4885PRSS1 1220/4885
US-20200190059-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 OPRM1 665/4885PROKR1 1/4885PRSS1 1289/4885
US-10544126-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 OPRM1 665/4885PROKR1 1/4885PRSS1 1289/4885
US-10308635-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors GIPR, PROKR1, PROKR2 OPRM1 49/4885PROKR1 2/4885PRSS1 919/4885
US-11512066-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 OPRM1 665/4885PROKR1 1/4885PRSS1 1289/4885
US-10335402-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated gastrointestinal disorders PROKR1, PROKR2, GIPR OPRM1 117/4885PROKR1 1/4885PRSS1 498/4885
US-20160376256-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 OPRM1 665/4885PROKR1 1/4885PRSS1 1289/4885
US-10208016-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors GIPR, PROKR1, PROKR2 OPRM1 49/4885PROKR1 2/4885PRSS1 919/4885
US-10167273-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 OPRM1 665/4885PROKR1 1/4885PRSS1 1289/4885
US-20150111922-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PGC OPRM1 37/4885PROKR1 1/4885PRSS1 917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.