SCHEMBL3098706

SCHEMBL3098706

CCOc1cc(CN2CCC(n3nnc4cc(C(=O)O)ccc43)CC2)cc(OCC)c1Br

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.56
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
SSTR5 P35346 6/20 0.49
SSTR1 P30872 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3094039 0.91 SSTR5 (0.57) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3093266 0.91 SSTR5 (0.59) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3082096 0.91 HCAR3 (0.58) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3097903 0.89 HCAR3 (0.56) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3090876 0.89 HCAR3 (0.55) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3089475 0.89 SSTR5 (0.59) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3090032 0.89 HCAR3 (0.55) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3101363 0.88 HCAR3 (0.59) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3098273 0.88 HCAR3 (0.53) HCAR3ALOX15HSD17B10LMNAUSP2
SCHEMBL3141833 0.88 ALOX15 (0.50) ALOX15HSD17B10LMNAUSP2ALDH1A1

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 HCAR3 92/4885ALOX15 1839/4885HSD17B10 1851/4885

“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.