SCHEMBL3090831

SCHEMBL3090831

Cc1nc2cc(C(=O)O)ccc2n1C1CCN(Cc2cc(OC(C)C)cc(OC(C)C)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
IDH1 O75874 3/20 0.47
YEATS4 O95619 1/20 0.46
KCNH2 Q12809 1/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
SSTR5 P35346 1/20 0.43
MCHR1 Q99705 1/20 0.43
USP2 O75604 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
AKT1 P31749 2/20 0.42
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 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
SCHEMBL3137521 0.89 ALDH1A1 (0.44) L3MBTL1YEATS4KCNH2PKMSMN1; SMN2
SCHEMBL3086874 0.88 L3MBTL1 (0.59) L3MBTL1IDH1YEATS4KCNH2PKM
SCHEMBL3090069 0.85 L3MBTL1 (0.53) L3MBTL1IDH1YEATS4KCNH2PKM
SCHEMBL3094519 0.84 L3MBTL1 (0.52) L3MBTL1IDH1YEATS4KCNH2PKM
SCHEMBL3098611 0.80 L3MBTL1 (0.56) L3MBTL1YEATS4KCNH2PKMSMN1; SMN2
SCHEMBL3093309 0.80 SSTR5 (0.58) L3MBTL1YEATS4KCNH2PKMSMN1; SMN2
SCHEMBL3104485 0.80 L3MBTL1 (0.56) L3MBTL1YEATS4KCNH2PKMSMN1; SMN2
SCHEMBL3086990 0.80 SSTR5 (0.60) L3MBTL1YEATS4KCNH2PKMSMN1; SMN2
SCHEMBL3093316 0.80 OPRM1 (0.52) SMN1; SMN2AKT1AKT2AKT3
SCHEMBL3080388 0.79 L3MBTL1 (0.54) L3MBTL1YEATS4KCNH2PKMSMN1; 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 10 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
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
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 4568/4885IDH1 1265/4885YEATS4 2540/4885

“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.