SCHEMBL3098616

SCHEMBL3098616

CC(C)(C)OC(=O)N1CCC(N2Cc3ccccc3C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
GPR119 Q8TDV5 2/20 0.50
NAMPT P43490 1/20 0.50
KDM5A P29375 1/20 0.48
SCN1A P35498 7/20 0.48
SCN5A Q14524 7/20 0.48
SCN9A Q15858 7/20 0.48
MTR Q99707 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL121297 0.88 NAMPT (0.50) GPR119NAMPTKDM5ASCN1ASCN5A
SCHEMBL28611979 0.85 ESR2 (0.53) TP53GPR119KDM4E
SCHEMBL30191550 0.85 ESR2 (0.53) TP53GPR119KDM4E
SCHEMBL3657213 0.84 FPR2 (0.52) TP53GPR119KDM4E
SCHEMBL15758310 0.84 NR1H2 (0.54) TP53GPR119L3MBTL1MAPK1KDM4E
SCHEMBL30658429 0.84 TP53 (0.48) TP53GPR119KDM4E
SCHEMBL27227648 0.84 TP53 (0.48) TP53GPR119KDM4E
SCHEMBL30014780 0.84 FPR2 (0.52) TP53GPR119KDM4E
SCHEMBL12537063 0.84 GPR119 (0.53) GPR119NAMPTMAPK1KDM4EPKM
SCHEMBL122428 0.84 MGLL (0.47) GPR119NAMPTKDM5ASCN1ASCN5A

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 4 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
CN-101646665-A 1-(1-benzyl piepridine-4-yl) benzoglyoxaline-5-carboxylic acid derivative that is used for the treatment of diabetes HOFFMANN LA ROCHE CH 2010-02-10 CN 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 TP53 2480/4885GPR119 16/4885NAMPT 1231/4885

“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.