SCHEMBL3095302

SCHEMBL3095302

C=CCOc1ccc(CN2CCC(n3c(C)nc4cc(C(=O)O)ccc43)CC2)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
SSTR5 P35346 7/20 0.47
SSTR1 P30872 2/20 0.46
YEATS4 O95619 1/20 0.43
KCNH2 Q12809 1/20 0.43
PKM P14618 1/20 0.41
USP2 O75604 1/20 0.41
HRH1 P35367 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 1/20 0.39

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
SCHEMBL3130680 0.89 USP2 (0.41) SSTR5SSTR1YEATS4KCNH2PKM
SCHEMBL3085323 0.88 L3MBTL1 (0.51) L3MBTL1SSTR5SSTR1BCHEACHE
SCHEMBL3085460 0.88 L3MBTL1 (0.51) L3MBTL1SSTR5SSTR1YEATS4KCNH2
SCHEMBL3094519 0.87 L3MBTL1 (0.52) L3MBTL1SSTR5SSTR1YEATS4KCNH2
SCHEMBL3098032 0.87 L3MBTL1 (0.55) L3MBTL1SSTR5SSTR1YEATS4KCNH2
SCHEMBL3097980 0.87 L3MBTL1 (0.51) L3MBTL1SSTR5SSTR1YEATS4KCNH2
SCHEMBL3095334 0.87 L3MBTL1 (0.51) L3MBTL1SSTR5SSTR1YEATS4KCNH2
SCHEMBL3091123 0.86 L3MBTL1 (0.54) L3MBTL1SSTR5SSTR1YEATS4KCNH2
SCHEMBL3098885 0.86 SSTR5 (0.59) L3MBTL1SSTR5SSTR1YEATS4KCNH2
SCHEMBL3092987 0.86 HCAR3 (0.51) SSTR5SSTR1USP2HRH1ALDH1A1

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 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.