SCHEMBL3095000

SCHEMBL3095000

C=CCOC(=O)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.52
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 2/20 0.42
PTGER4 P35408 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
BRD4 O60885 1/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL15320794 0.89 ALOX15 (0.67) ALOX15ALDH1A1MAPTNPC1MAPK1
SCHEMBL29848392 0.86 ALDH1A1 (0.55) ALOX15ALDH1A1MAPTNPC1MAPK1
SCHEMBL4444780 0.86 ALDH1A1 (0.55) ALOX15ALDH1A1MAPTNPC1MAPK1
SCHEMBL27770113 0.86 ALOX15 (0.53) ALOX15ALDH1A1MAPTNPC1RAB9A
SCHEMBL3091619 0.86 ALDH1A1 (0.49) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3098556 0.85 ALDH1A1 (0.42) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3358343 0.81 ALOX15 (0.55) ALOX15ALDH1A1MAPTNPC1MAPK1
SCHEMBL15320501 0.80 ALOX15 (0.75) ALOX15ALDH1A1MAPTHTTNPSR1
SCHEMBL3084718 0.79 ALDH1A1 (0.55) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL19245322 0.79 ALOX15 (0.52) ALOX15ALDH1A1MAPTNPC1MAPK1

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 5 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 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 ALOX15 1839/4885ALDH1A1 1194/4885MAPT 3382/4885

“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.