SCHEMBL3858722

SCHEMBL3858722

COC(Cc1cccc2[nH]c(=O)[nH]c12)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL21007966 0.82 GABRA1 (0.44) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL6768044 0.79 GRIN2D (0.41) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL6767613 0.79 GRIN2D (0.41) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL5379137 0.78 DAO (0.46) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL6768239 0.76 GRIN2D (0.42) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL6768299 0.74 GRIN2D (0.51) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL5388796 0.73 DAO (0.50) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL6772741 0.73 GRIN2D (0.40) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL6768030 0.73 GRIN2D (0.45) ADRB2ADRB1ADRB3MEN1CYP1A2
SCHEMBL6767772 0.73 GRIN2D (0.45) ADRB2ADRB1ADRB3MEN1CYP1A2

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 ADRB2 186/4885ADRB1 118/4885ADRB3 119/4885

“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.