SCHEMBL3104380

SCHEMBL3104380

CCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(C(=O)O)ccc43)CC2)cc(OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.52
AKT1 P31749 2/20 0.52
AKT2 P31751 2/20 0.52
AKT3 Q9Y243 1/20 0.52
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
CHRM1 P11229 1/20 0.51
YEATS4 O95619 2/20 0.49
KCNH2 Q12809 2/20 0.49
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
DRD3 P35462 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MLLT3 P42568 1/20 0.47
MLLT1 Q03111 1/20 0.47
YEATS2 Q9ULM3 1/20 0.47

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
SCHEMBL3094304 0.88 CHRM1 (0.53) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3093187 0.88 AKT1 (0.50) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3104467 0.88 AKT1 (0.50) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3094342 0.88 SSTR5 (0.52) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3131134 0.88 OPRM1 (0.52) OPRM1OPRK1OPRL1CHRM1HTR1A
SCHEMBL3093316 0.88 OPRM1 (0.52) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3094224 0.87 AKT1 (0.53) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3101918 0.86 AKT1 (0.48) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3098579 0.86 AKT1 (0.51) OPRM1AKT1AKT2AKT3OPRK1
SCHEMBL3089345 0.85 AKT1 (0.49) OPRM1AKT1AKT2AKT3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US claimed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 US claimed
US-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 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 (1 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-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES SSTR5, SSTR3, SSTR1 OPRM1 706/4885AKT1 4248/4885AKT2 4190/4885

“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.