SCHEMBL3853380

SCHEMBL3853380

CN(CCOc1cccc2c1n(C)c(=O)n2Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
PDK2 Q15119 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G2A P14555 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
HRH1 P35367 1/20 0.36
MCL1 Q07820 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G1B P04054 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
SCHEMBL5474150 0.88 NPC1 (0.41) HTR6LMNASMN1; SMN2RAB9ANPC1
SCHEMBL3860637 0.82 HTR6 (0.56) HTR6HTR2CSLC6A4PDK2PLA2G2A
SCHEMBL13685809 0.78 HTR6 (0.54) HTR6HTR2CSLC6A4PDK2ALDH1A1
SCHEMBL3856211 0.76 PLA2G2A (0.43) HTR6HTR2CSLC6A4PDK2PLA2G2A
SCHEMBL3854782 0.75 HTR6 (0.48) HTR6LMNASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL3858953 0.74 HTR6 (0.47) HTR6LMNASMN1; SMN2RAB9ANPC1
SCHEMBL3858178 0.74 HTR6 (0.57) HTR6HTR2CSLC6A4PDK2LMNA
SCHEMBL15076180 0.71 RBP4 (0.54) PDK2LMNASMN1; SMN2RAB9ANPC1
SCHEMBL26563553 0.71 PDK2 (0.49) PDK2LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3871724 0.71 HTR6 (0.44) HTR6HTR2CSLC6A4KDM4E

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 6 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
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
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 1077/4885HTR2C 511/4885SLC6A4 2208/4885

“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.