SCHEMBL3104482

SCHEMBL3104482

COc1ccc(CN2CCC(n3cnc4c(=O)[nH]ccc43)CC2)cc1OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.48
CTSS P25774 2/20 0.46
NPSR1 Q6W5P4 1/20 0.42
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3081943 0.92 CTSS (0.46) SSTR5CTSSJAK1JAK3JAK2
SCHEMBL3085144 0.91 CTSS (0.48) SSTR5CTSSNPSR1KDM4EKMT2A
SCHEMBL3094207 0.86 SSTR5 (0.47) SSTR5CTSSJAK1JAK3JAK2
SCHEMBL3104432 0.85 CTSS (0.46) SSTR5CTSSJAK1JAK3JAK2
SCHEMBL3080430 0.82 CTSS (0.48) SSTR5CTSSJAK1JAK3JAK2
SCHEMBL3104418 0.82 CTSS (0.46) SSTR5CTSSJAK1JAK3JAK2
SCHEMBL3097994 0.81 CTSS (0.51) SSTR5CTSSJAK1JAK3JAK2
SCHEMBL3104533 0.81 CTSS (0.46) SSTR5CTSSHRH1HTR2B
SCHEMBL3098654 0.80 CTSS (0.48) SSTR5CTSSJAK1JAK3JAK2
SCHEMBL3104293 0.80 NPC1 (0.45) SSTR5CTSSJAK1JAK3JAK2

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 SSTR5 1/4885CTSS 2371/4885NPSR1 40/4885

“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.