SCHEMBL3094342

SCHEMBL3094342

CCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(C(=O)O)ccc43)CC2)cc(OCC)c1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.52
AKT1 P31749 2/20 0.50
AKT2 P31751 2/20 0.50
AKT3 Q9Y243 1/20 0.50
PLD2 O14939 4/20 0.49
PLD1 Q13393 4/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 3/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
KCNH2 Q12809 2/20 0.47
YEATS4 O95619 1/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL3081955 0.91 AKT1 (0.51) SSTR5AKT1AKT2AKT3PLD2
SCHEMBL3094304 0.91 CHRM1 (0.53) SSTR5AKT1AKT2AKT3PLD2
SCHEMBL3104467 0.91 AKT1 (0.50) SSTR5AKT1AKT2AKT3PLD2
SCHEMBL3093187 0.91 AKT1 (0.50) SSTR5AKT1AKT2AKT3PLD2
SCHEMBL3094224 0.90 AKT1 (0.53) AKT1AKT2AKT3PLD2PLD1
SCHEMBL3101918 0.89 AKT1 (0.48) SSTR5AKT1AKT2AKT3PLD2
SCHEMBL3098579 0.89 AKT1 (0.51) AKT1AKT2AKT3CHRM1OPRM1
SCHEMBL3104380 0.88 OPRM1 (0.52) AKT1AKT2AKT3PLD2PLD1
SCHEMBL3089345 0.88 AKT1 (0.49) SSTR5AKT1AKT2AKT3CHRM1
SCHEMBL3097977 0.88 OPRM1 (0.51) AKT1AKT2AKT3CHRM1OPRM1

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 8 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
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO 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 SSTR5 1/4885AKT1 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.