SCHEMBL16657602

SCHEMBL16657602

COc1cc(Cl)ccc1CC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.52
PROKR1 Q8TCW9 2/20 0.52
SLC6A4 P31645 6/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 3/20 0.43
CYP2D6 P10635 1/20 0.43
CMA1 P23946 1/20 0.42
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
HTR2A P28223 1/20 0.40

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
Hydrochloric Acid SCHEMBL28086978 0.99 FPR2 (0.51) FPR2PROKR1SLC6A4CCNT1CDK9
SCHEMBL6927385 0.81 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL3962949 0.80 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL6927980 0.79 HTR2C (0.57) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL1705710 0.78 GNAI3 (0.57) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL9702604 0.78 EGFR (0.53) SLC6A4CCNT1CDK9HTR3EHTR3B
SCHEMBL6929202 0.78 HTR2C (0.52) SLC6A4SLC6A2SLC6A3HTR2C
Hydrochloric Acid SCHEMBL9556037 0.77 TDP1 (0.55) SLC6A4CCNT1CDK9HTR3EHTR3B
Hydrochloric Acid SCHEMBL21632839 0.77 GNAI3 (0.56) SLC6A4SLC6A2CYP2D6HTR2CTDP1
SCHEMBL28086989 0.77 FPR2 (0.48) FPR2PROKR1SLC6A4SLC6A2SLC6A3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190084962-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-21 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-2855449-B1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2018-03-07 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
US-9475795-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
CN-104520292-B Sulphonylpiperidine derivant and they are for treating the purposes of disease of front dynein mediation 武田药品工业株式会社 2016-09-14 CN 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
US-20150111922-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-23 US 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 (6 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 FPR2 3719/4885PROKR1 1/4885SLC6A4 181/4885
US-20200190059-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 FPR2 3719/4885PROKR1 1/4885SLC6A4 181/4885
US-10544126-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 FPR2 3719/4885PROKR1 1/4885SLC6A4 181/4885
US-20160376256-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PROKR2 FPR2 3719/4885PROKR1 1/4885SLC6A4 181/4885
US-10167273-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases PROKR1, GIPR, PROKR2 FPR2 3719/4885PROKR1 1/4885SLC6A4 181/4885
US-20150111922-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES PROKR1, GIPR, PGC FPR2 3123/4885PROKR1 1/4885SLC6A4 543/4885

“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.