SCHEMBL12701643

SCHEMBL12701643

CN1CCc2ccccc2C12CCNCC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
SIGMAR1 Q99720 7/20 0.42
HRH1 P35367 2/20 0.41
EBP Q15125 1/20 0.40
HTR2C P28335 2/20 0.40
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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 SCHEMBL1588123 0.98 HTR2A (0.46) HTR2ASIGMAR1HRH1EBPHTR2C
SCHEMBL31283252 0.85 OPRM1 (0.42) HTR2ASIGMAR1HTR2CDRD2SLC6A2
SCHEMBL4359521 0.85 OPRM1 (0.42) HTR2ASIGMAR1HTR2CDRD2SLC6A2
SCHEMBL12021583 0.84 MAOA (0.47) HTR2ASIGMAR1EBPHTR2CDRD2
SCHEMBL17768526 0.82 HTR2A (0.41) HTR2ASIGMAR1HRH1EBPHTR2C
SCHEMBL17768500 0.82 MEN1 (0.41) HTR2ASIGMAR1HRH1EBP
SCHEMBL17768463 0.78 HTR2A (0.40) HTR2ASIGMAR1HRH1HTR2CDRD2
SCHEMBL21130578 0.78 SIGMAR1 (0.57) SIGMAR1EBP
SCHEMBL17779090 0.76 CHRM2 (0.52) SIGMAR1EBP
SCHEMBL17014512 0.76 SIGMAR1 (0.44) SIGMAR1EBPMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-10407428-B2 Spiro-isoquinoline-1,4′-piperidine compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-09-10 US disclosed
EP-3221314-B1 SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-07-03 EP disclosed
US-20180111935-A1 SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-04-26 US disclosed
EP-3221314-A1 SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-09-27 EP disclosed
WO-2016078770-A1 SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-05-26 WO disclosed
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 US disclosed
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 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 (4 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-10407428-B2 Spiro-isoquinoline-1,4′-piperidine compounds having multimodal activity against pain OPRD1, OPRK1, OPRL1 HTR2A 93/4885SIGMAR1 5/4885HRH1 1105/4885
US-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 HTR2A 376/4885SIGMAR1 683/4885HRH1 1035/4885
US-20180111935-A1 SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRK1, OPRL1 HTR2A 93/4885SIGMAR1 5/4885HRH1 1108/4885
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists OXTR, PRLHR, KISS1R HTR2A 889/4885SIGMAR1 748/4885HRH1 3330/4885

“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.