SCHEMBL3205585

SCHEMBL3205585

COc1ccc(OC(F)(F)F)cc1CCl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
TACR1 P25103 8/20 0.44
KCNH2 Q12809 2/20 0.44
CYP2D6 P10635 1/20 0.44
IDO1 P14902 2/20 0.44
ADRA1A P35348 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GRIN2B Q13224 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL22220774 0.85 HCRTR1 (0.49) HCRTR1HCRTR2TACR1KCNH2CYP2D6
SCHEMBL15173398 0.83 ADRA1A (0.51) HCRTR1HCRTR2TACR1KCNH2CYP2D6
SCHEMBL16892229 0.83 IDO1 (0.51) HCRTR1HCRTR2TACR1KCNH2CYP2D6
SCHEMBL4638450 0.83 GRIN2B (0.46) HCRTR1HCRTR2TACR1KCNH2CYP2D6
SCHEMBL3202940 0.83 TACR1 (0.46) HCRTR1HCRTR2TACR1KCNH2CYP2D6
SCHEMBL1055293 0.82 IDO1 (0.61) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL15118586 0.81 KCNH2 (0.50) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL17449709 0.81 HTR2A (0.54) HCRTR1HCRTR2TACR1KCNH2CYP2D6
SCHEMBL31284962 0.81 TAAR1 (0.71) HCRTR1HCRTR2ADRA1ATAAR1HTR1A
SCHEMBL28629150 0.81 ADRA1A (0.49) HCRTR1HCRTR2TACR1KCNH2CYP2D6

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-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO 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-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C HCRTR1 49/4885HCRTR2 25/4885TACR1 850/4885

“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.