SCHEMBL3092599

SCHEMBL3092599

CCOc1cc(CN2CCC(n3cnc4c(=O)[nH]ccc43)CC2)cc(OCC)c1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
PDE5A O76074 3/20 0.38
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE1C Q14123 3/20 0.38
JAK1 P23458 3/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PARP1 P09874 1/20 0.36
SSTR5 P35346 5/20 0.36
KCNH2 Q12809 2/20 0.36
SSTR3 P32745 1/20 0.36
CCR8 P51685 1/20 0.35

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
SCHEMBL3090905 0.91 CTSS (0.49) CTSSPDE5APDE1APDE1BPDE1C
SCHEMBL3080645 0.91 CTSS (0.49) CTSSPDE5APDE1APDE1BPDE1C
SCHEMBL3081953 0.91 CTSS (0.51) CTSSPDE5APDE1APDE1BPDE1C
SCHEMBL3097994 0.88 CTSS (0.51) CTSSPDE5APDE1APDE1BPDE1C
SCHEMBL3087252 0.88 CTSS (0.47) CTSSPDE5APDE1APDE1BPDE1C
SCHEMBL3085144 0.87 CTSS (0.48) CTSSALDH1A1SSTR5KCNH2
SCHEMBL3098654 0.87 CTSS (0.48) CTSSJAK1JAK2TYK2JAK3
SCHEMBL3098246 0.86 SSTR5 (0.53) CTSSSSTR5KCNH2SSTR3
SCHEMBL3104432 0.85 CTSS (0.46) CTSSPDE5APDE1APDE1BPDE1C
SCHEMBL3081943 0.84 CTSS (0.46) CTSSPDE5APDE1APDE1BPDE1C

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 2371/4885PDE5A 273/4885PDE1A 1104/4885

“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.