SCHEMBL3090876

SCHEMBL3090876

CCOc1cc(CN2CCC(n3nnc4cc(C(=O)O)ccc43)CC2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.55
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.47
SSTR5 P35346 1/20 0.47
USP2 O75604 2/20 0.47
ALPL P05186 1/20 0.47
LMNA P02545 1/20 0.47
UBE2N P61088 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
SCHEMBL3082096 0.95 HCAR3 (0.58) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3093299 0.93 HCAR3 (0.53) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3087183 0.92 HCAR3 (0.53) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3082051 0.91 HCAR3 (0.53) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3087356 0.91 HCAR3 (0.53) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3089459 0.91 HCAR3 (0.53) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3097903 0.90 HCAR3 (0.56) HCAR3ALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL3097935 0.90 HCAR3 (0.52) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3098059 0.90 HCAR3 (0.52) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3089468 0.90 HCAR3 (0.55) HCAR3MAPK1ALDH1A1MAPTSMN1; SMN2

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 HCAR3 92/4885MAPK1 2697/4885ALDH1A1 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.