SCHEMBL3089968

SCHEMBL3089968

CCCCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(C(=O)O)ccc43)CC2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.51
AKT1 P31749 2/20 0.49
AKT2 P31751 2/20 0.49
AKT3 Q9Y243 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CHRM1 P11229 1/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
DRD4 P21917 2/20 0.45
HSD11B1 P28845 2/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL3085149 0.96 AKT1 (0.49) OPRM1AKT1AKT2AKT3SMN1; SMN2
SCHEMBL3097977 0.93 OPRM1 (0.51) OPRM1AKT1AKT2AKT3SMN1; SMN2
SCHEMBL3087260 0.92 AKT1 (0.49) OPRM1AKT1AKT2AKT3SMN1; SMN2
SCHEMBL3125828 0.90 OPRM1 (0.52) OPRM1KDM4EALDH1A1PMP22NPSR1
SCHEMBL3097951 0.89 AKT1 (0.49) OPRM1AKT1AKT2AKT3SMN1; SMN2
SCHEMBL3094224 0.88 AKT1 (0.53) OPRM1AKT1AKT2AKT3SMN1; SMN2
SCHEMBL3091503 0.87 OPRM1 (0.50) OPRM1AKT1AKT2AKT3SMN1; SMN2
SCHEMBL3141595 0.86 OPRM1 (0.52) OPRM1BCHEACHECHRM1DRD2
SCHEMBL3098723 0.84 AKT1 (0.49) OPRM1AKT1AKT2AKT3CHRM1
SCHEMBL3101959 0.84 AKT1 (0.49) OPRM1AKT1AKT2AKT3SMN1; SMN2

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.