SCHEMBL3094039

SCHEMBL3094039

CCOc1cc(CN2CCC(n3nnc4cc(C(=O)O)ccc43)CC2)cc(OCC)c1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 12/20 0.57
HCAR3 P49019 4/20 0.56
ALDH1A1 P00352 2/20 0.53
KCNH2 Q12809 2/20 0.50
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SSTR1 P30872 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL3090032 0.92 HCAR3 (0.55) SSTR5HCAR3ALDH1A1ALOX15HSD17B10
SCHEMBL3098706 0.91 HCAR3 (0.56) SSTR5HCAR3ALDH1A1ALOX15HSD17B10
SCHEMBL3093266 0.91 SSTR5 (0.59) SSTR5HCAR3ALDH1A1ALOX15HSD17B10
SCHEMBL3082096 0.91 HCAR3 (0.58) SSTR5HCAR3ALDH1A1ALOX15HSD17B10
SCHEMBL3097903 0.89 HCAR3 (0.56) SSTR5HCAR3ALDH1A1ALOX15HSD17B10
SCHEMBL3089475 0.89 SSTR5 (0.59) SSTR5HCAR3ALDH1A1KCNH2ALOX15
SCHEMBL3090876 0.89 HCAR3 (0.55) SSTR5HCAR3ALDH1A1ALOX15HSD17B10
SCHEMBL3101363 0.88 HCAR3 (0.59) HCAR3ALDH1A1ALOX15HSD17B10HTT
SCHEMBL3098273 0.88 HCAR3 (0.53) SSTR5HCAR3ALDH1A1ALOX15HSD17B10
SCHEMBL3135577 0.88 ALDH1A1 (0.52) SSTR5ALDH1A1ALOX15HSD17B10HTT

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 12 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
CN-101646665-A 1-(1-benzyl piepridine-4-yl) benzoglyoxaline-5-carboxylic acid derivative that is used for the treatment of diabetes HOFFMANN LA ROCHE CH 2010-02-10 CN claimed
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP claimed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO 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
CN-101646665-A 1-(1-benzyl piepridine-4-yl) benzoglyoxaline-5-carboxylic acid derivative that is used for the treatment of diabetes HOFFMANN LA ROCHE CH 2010-02-10 CN disclosed
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO 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 1/4885HCAR3 92/4885ALDH1A1 1194/4885

“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.