SCHEMBL3097994

SCHEMBL3097994

CCOc1cc(CN2CCC(n3cnc4c(=O)[nH]ccc43)CC2)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.51
SSTR5 P35346 4/20 0.45
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3098654 0.90 CTSS (0.48) CTSSSSTR5CCR8KCNH2JAK2
SCHEMBL3085144 0.90 CTSS (0.48) CTSSSSTR5KCNH2KDM4EALDH1A1
SCHEMBL3092599 0.88 CTSS (0.49) CTSSSSTR5CCR8KCNH2PDE5A
SCHEMBL3090905 0.88 CTSS (0.49) CTSSSSTR5KCNH2PDE5APDE1A
SCHEMBL3081953 0.88 CTSS (0.51) CTSSSSTR5KCNH2PDE5APDE1A
SCHEMBL3080645 0.88 CTSS (0.49) CTSSSSTR5PDE5APDE1APDE1B
SCHEMBL3104432 0.88 CTSS (0.46) CTSSSSTR5KCNH2PDE5APDE1A
SCHEMBL3080430 0.87 CTSS (0.48) CTSSSSTR5JAK2JAK1TYK2
SCHEMBL3081943 0.87 CTSS (0.46) CTSSSSTR5KCNH2PDE5APDE1A
SCHEMBL3104418 0.87 CTSS (0.46) CTSSSSTR5KCNH2PDE5APDE1A

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 CTSS 2371/4885SSTR5 1/4885CCR8 3121/4885

“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.