SCHEMBL3858178

SCHEMBL3858178

CN(CCOc1cccc2c1CC(=O)N2Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.57
BCHE P06276 1/20 0.40
DRD2 P14416 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
PDK2 Q15119 1/20 0.38
MDH2 P40926 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL3860637 0.74 HTR6 (0.56) HTR6HTR2CSLC6A4PDK2KDM4E
SCHEMBL13685809 0.74 HTR6 (0.54) HTR6BCHEDRD2HTR2CSLC6A4
SCHEMBL3853380 0.74 HTR6 (0.38) HTR6HTR2CSLC6A4PDK2KDM4E
SCHEMBL3856211 0.72 PLA2G2A (0.43) HTR6BCHEDRD2HTR2CSLC6A4
SCHEMBL15076180 0.71 RBP4 (0.54) PDK2KDM4ELMNAALDH1A1HRH1
SCHEMBL26563553 0.71 PDK2 (0.49) DRD2PDK2KDM4ELMNAALDH1A1
SCHEMBL24553506 0.70 HTR7 (0.57) PDK2KDM4ELMNAALDH1A1HRH1
SCHEMBL7425797 0.69 ALDH1A1 (0.46) PDK2KDM4EALDH1A1
SCHEMBL1009027 0.69 PDK2 (0.58) PDK2KDM4EALDH1A1
SCHEMBL15058155 0.69 ALDH1A1 (0.51) DRD2PDK2KDM4ELMNAALDH1A1

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 9 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
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
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
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
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 US 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 1077/4885BCHE 3272/4885DRD2 401/4885

“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.