SCHEMBL3853292

SCHEMBL3853292

O=C1C(=O)N(Cc2ccccc2F)c2cccc(N3CCNCC3)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
HTR6 P50406 5/20 0.48
ALDH1A1 P00352 3/20 0.47
ALDH3A1 P30838 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL3861364 0.92 HTR1A (0.49) HTR1ASLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL3858151 0.87 HTR6 (0.44) HTR1ASLC6A2SLC6A4HTR6SLC6A3
SCHEMBL3853560 0.81 HTR6 (0.50) HTR1AHTR6ALDH1A1ALDH3A1CYP1A2
SCHEMBL3856927 0.81 HTR6 (0.46) HTR1ASLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL3854342 0.80 HTR6 (0.52) HTR1ASLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL3860658 0.79 HTR1A (0.50) HTR1ASLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL4614606 0.78 HTR1A (0.49) HTR1ASLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL14253733 0.78 HTR1A (0.49) HTR1ASLC6A2SLC6A4HTR6ALDH1A1
SCHEMBL5365717 0.77 HTR6 (0.58) HTR1ASLC6A2SLC6A4HTR6ALDH1A1
Hydrochloric Acid SCHEMBL4615105 0.77 HTR1A (0.48) HTR1ASLC6A2SLC6A4HTR6ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904483-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. Hoffmann-Roche AG (CH) 2008-04-02 EP claimed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO claimed
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 US claimed
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
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 HTR1A 393/4885SLC6A2 3895/4885SLC6A4 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.