SCHEMBL3101936

SCHEMBL3101936

CCOc1cc(CN2CCC(N3Cc4ccccc4C3=O)CC2)ccc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.50
SCN1A P35498 10/20 0.49
SCN5A Q14524 10/20 0.49
SCN9A Q15858 10/20 0.49
KCNH2 Q12809 3/20 0.47
MTR Q99707 1/20 0.45
NPY1R P25929 1/20 0.43
NPY5R Q15761 1/20 0.43
SSTR3 P32745 1/20 0.42

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
SCHEMBL3104473 0.89 SSTR5 (0.48) SSTR5SCN1ASCN5ASCN9AKCNH2
SCHEMBL3095201 0.87 SCN1A (0.52) SSTR5SCN1ASCN5ASCN9AMTR
SCHEMBL3086964 0.86 SCN1A (0.50) SSTR5SCN1ASCN5ASCN9AMTR
SCHEMBL3633362 0.85 SSTR5 (0.52) SSTR5KCNH2SSTR3
SCHEMBL3876136 0.77 SSTR5 (0.58) SSTR5KCNH2SSTR3
SCHEMBL3090041 0.76 SCN1A (0.50) SSTR5SCN1ASCN5ASCN9A
SCHEMBL6191353 0.75 MTR (0.66) SCN1ASCN5ASCN9AMTR
SCHEMBL9762133 0.74 SCN1A (0.67) SCN1ASCN5ASCN9AMTR
SCHEMBL31633166 0.72 MTR (0.44) SCN1ASCN5ASCN9AMTR
SCHEMBL9761779 0.72 TSHR (0.58) SCN1ASCN5ASCN9AMTR

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 1/4885SCN1A 1682/4885SCN5A 399/4885

“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.