SCHEMBL3853550

SCHEMBL3853550

O=c1[nH]c2c(N3CCNCC3)cc(F)cc2n1Cc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.63
HTR1A P08908 3/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
KCNH2 Q12809 2/20 0.44
IDO1 P14902 2/20 0.44
POLB P06746 1/20 0.44
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
KDR P35968 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL3850852 0.91 HTR6 (0.72) HTR6KCNH2
SCHEMBL3858999 0.84 HTR6 (0.54) HTR6HTR1ADRD2HTR2AKCNH2
SCHEMBL3853287 0.82 HTR6 (0.52) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3853722 0.81 HTR6 (0.55) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3854522 0.81 HTR6 (0.55) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3857007 0.80 HTR6 (0.44) HTR6HTR1AIDO1POLBGRIN1
SCHEMBL1136537 0.77 HTR6 (1.00) HTR6HTR1ADRD2KCNH2SLC6A2
Hydrochloric Acid SCHEMBL3855676 0.76 HTR6 (0.97) HTR6HTR1ADRD2KCNH2SLC6A2
SCHEMBL3857104 0.74 HTR6 (0.47) HTR6HTR1AIDO1POLBGRIN1
SCHEMBL3854532 0.73 GRIN1 (0.49) HTR6GRIN1GRIN2BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1077/4885HTR1A 393/4885DRD2 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.