SCHEMBL3104485

SCHEMBL3104485

CCOc1cc(CN2CCC(n3c(C)nc4cc(C(=O)O)ccc43)CC2)cc(OCC)c1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SSTR5 P35346 11/20 0.50
SSTR1 P30872 2/20 0.50
KCNH2 Q12809 3/20 0.47
YEATS4 O95619 1/20 0.47
USP2 O75604 1/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
PKM P14618 2/20 0.43
HRH1 P35367 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
UBE2N P61088 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3086990 0.91 SSTR5 (0.60) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3093309 0.91 SSTR5 (0.58) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3098611 0.91 L3MBTL1 (0.56) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3080388 0.90 L3MBTL1 (0.54) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3086874 0.88 L3MBTL1 (0.59) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3093970 0.88 L3MBTL1 (0.52) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3098885 0.88 SSTR5 (0.59) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3091123 0.88 L3MBTL1 (0.54) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3137260 0.88 USP2 (0.44) L3MBTL1SSTR5SSTR1KCNH2YEATS4
SCHEMBL3081916 0.87 SSTR5 (0.62) SSTR5KCNH2

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 8 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
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 L3MBTL1 4568/4885SSTR5 1/4885SSTR1 3/4885

“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.