SCHEMBL3090069

SCHEMBL3090069

COc1ccc(CN2CCC(n3c(C)nc4cc(C(=O)O)ccc43)CC2)cc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 2/20 0.51
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
UBE2N P61088 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
IDH1 O75874 2/20 0.45
YEATS4 O95619 1/20 0.43
KCNH2 Q12809 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 1/20 0.41

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
SCHEMBL3093334 0.90 L3MBTL1 (0.52) L3MBTL1PKMHSD17B10MAPK1GLA
SCHEMBL3094519 0.90 L3MBTL1 (0.52) L3MBTL1PKMHSD17B10MAPK1GLA
SCHEMBL3138202 0.89 ALDH1A1 (0.48) PKMHSD17B10MAPK1GLAUBE2N
SCHEMBL3094321 0.88 L3MBTL1 (0.57) L3MBTL1PKMHSD17B10MAPK1GLA
SCHEMBL3092951 0.87 PKM (0.52) L3MBTL1PKMHSD17B10MAPK1GLA
SCHEMBL3090831 0.85 L3MBTL1 (0.58) L3MBTL1PKMMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3094493 0.85 HCAR3 (0.54) L3MBTL1MAPK1UBE2NNPSR1ALDH1A1
SCHEMBL3085460 0.83 L3MBTL1 (0.51) L3MBTL1PKMNPSR1ALDH1A1SMN1; SMN2
SCHEMBL3097980 0.83 L3MBTL1 (0.51) L3MBTL1PKMHSD17B10MAPK1GLA
SCHEMBL3095334 0.83 L3MBTL1 (0.51) L3MBTL1PKMHSD17B10MAPK1GLA

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
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
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 4568/4885PKM 1326/4885HSD17B10 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.