SCHEMBL13685809

SCHEMBL13685809

CN(CCOc1cccc2c1ccn2Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.54
BCHE P06276 2/20 0.54
DRD2 P14416 3/20 0.45
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
MCL1 Q07820 3/20 0.40
BCL2 P10415 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PDK2 Q15119 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3851817 0.90 HTR6 (0.48) HTR6BCHEDRD2PDK2MAPK1
SCHEMBL3856211 0.82 PLA2G2A (0.43) HTR6BCHEDRD2ALDH1A1HTR2C
SCHEMBL5245433 0.81 PDK2 (0.42) HTR6BCHEALDH1A1PDK2L3MBTL1
SCHEMBL3860637 0.78 HTR6 (0.56) HTR6ALDH1A1HTR2CSLC6A4MCL1
SCHEMBL3853380 0.78 HTR6 (0.38) HTR6ALDH1A1HTR2CSLC6A4MCL1
SCHEMBL6176739 0.76 HTR6 (0.55) HTR6BCHE
SCHEMBL18069184 0.74 HTR6 (0.69) HTR6BCHEDRD2MCL1BCL2
SCHEMBL3858178 0.74 HTR6 (0.57) HTR6BCHEDRD2ALDH1A1HTR2C
SCHEMBL15076180 0.73 RBP4 (0.54) ALDH1A1PDK2
SCHEMBL26563553 0.73 PDK2 (0.49) DRD2ALDH1A1PDK2L3MBTL1

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 5 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
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 1077/4885BCHE 3272/4885DRD2 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.