SCHEMBL4668703

SCHEMBL4668703

N[C@H](CCO)Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
RAB9A P51151 1/20 0.44
CTSC P53634 9/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
POLB P06746 1/20 0.40
GBA1 P04062 1/20 0.38

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
SCHEMBL27199268 1.00 CYP2C19 (0.50) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL9874276 0.87 TAAR1 (0.53) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL14860743 0.85 CYP2C19 (0.53) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL657170 0.84 CYP2C19 (0.55) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL9326082 0.81 CYP2C19 (0.46) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL288839 0.80 CYP2C19 (0.57) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL28556346 0.79 CYP2C19 (0.52) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL28595755 0.78 CYP2C19 (0.47) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL28011749 0.78 RAB9A (0.47) CYP2C19DPP4DPP8DPP9RAB9A
SCHEMBL27746489 0.77 TAAR1 (0.52) CYP2C19DPP4DPP8DPP9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US claimed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO claimed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP claimed
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP 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 (2 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-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 CYP2C19 3562/4885DPP4 3590/4885DPP8 561/4885
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR CYP2C19 949/4885DPP4 3749/4885DPP8 2968/4885

“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.