SCHEMBL3851817

SCHEMBL3851817

CN(CCOc1cccc2c1ccn2Cc1cccc(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.48
DRD2 P14416 3/20 0.48
BCHE P06276 1/20 0.45
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.39
PDK2 Q15119 1/20 0.39
MPO P05164 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 1/20 0.38
EPHX2 P34913 1/20 0.38
RBP4 P02753 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL13685809 0.90 HTR6 (0.54) HTR6DRD2BCHEPDK2MAPK1
SCHEMBL5245433 0.78 PDK2 (0.42) HTR6BCHEPDK2RBP4
SCHEMBL4966720 0.76 HTR6 (0.50) HTR6DRD2MPOMAPK14SLC2A1
SCHEMBL6176739 0.74 HTR6 (0.55) HTR6BCHE
SCHEMBL21601459 0.73 PDK2 (0.47) PDK2MAPK1GAARBP4
SCHEMBL3856211 0.72 PLA2G2A (0.43) HTR6DRD2BCHEPDK2MAPK1
SCHEMBL24552685 0.72 PKM (0.49) PDK2RBP4
SCHEMBL21076921 0.72 PDK2 (0.45) PPARGPPARAPPARDPDK2MAPK1
SCHEMBL21601517 0.72 PDK2 (0.45) BCHEPDK2MAPK1RBP4
SCHEMBL30954600 0.72 PDK2 (0.45) BCHEPDK2MAPK1RBP4

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-7582760-B2 7-Chloro-1-(3-fluoro-benzyl)-4-piperazin-1-yl-1,3-dihydro-benzoimidazol-2-one; useful for modulating the 5-HT6 receptor; useful in the treatment of certain CNS disorders such as Parkinson's disease, Huntington's disease, anxiety, depression, manic depression, psychoses, epilepsy etc. ROCHE PALO ALTO LLC (US) 2009-09-01 US disclosed
EP-1904483-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 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-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof RECQL, AR, DHX35 HTR6 1077/4885DRD2 401/4885BCHE 3272/4885

“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.