SCHEMBL3857793

SCHEMBL3857793

O=C1Cc2c(N3CCNCC3)ccc(Cl)c2N1Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.43
NPY2R P49146 1/20 0.41
HTR1A P08908 3/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
MAPK14 Q16539 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.40
EGFR P00533 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL3850806 0.92 MEN1 (0.45) HTR6NPY2RHTR1ADRD2HTR2A
SCHEMBL3857023 0.88 MEN1 (0.42) HTR6NPY2RHTR1ADRD2HTR2A
SCHEMBL3857841 0.85 HTR6 (0.50) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3857415 0.81 MEN1 (0.49) HTR6HTR1ADRD2HTR2AHTR7
Tert-Butyl Formate SCHEMBL27737588 0.78 HTR6 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3857001 0.77 HTR6 (0.48) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3860459 0.76 HTR6 (0.55) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1136442 0.75 HTR6 (0.48) HTR6HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL4615687 0.74 HTR6 (0.48) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3853722 0.74 HTR6 (0.55) HTR6NPY2RHTR1ADRD2HTR2A

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 HTR6 1077/4885NPY2R 1751/4885HTR1A 393/4885

“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.