SCHEMBL1636993

SCHEMBL1636993

N#Cc1cc2nc(C3(C(F)(F)F)OCCO3)[nH]c2cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.36
CACNA1H O95180 3/20 0.34
AR P10275 3/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1C Q13936 1/20 0.33
TRPA1 O75762 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32

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
SCHEMBL12463105 0.86 CSNK1D (0.43)
SCHEMBL12724630 0.79 CACNA1H (0.34) CACNA1HCACNA1GCACNA1C
SCHEMBL1635562 0.76 AR (0.41) CACNA1HARCACNA1G
SCHEMBL20096569 0.72 CACNA1H (0.41) CACNA1HARCACNA1GCACNA1CTRPA1
SCHEMBL20096687 0.72 CACNA1H (0.41) CACNA1HARCACNA1GCACNA1CTRPA1
SCHEMBL12395270 0.69 FABP6 (0.30)
SCHEMBL1260022 0.68 CACNA1H (0.37) CACNA1HARTRPA1
SCHEMBL1635569 0.68 AR (0.40) MCHR1CACNA1HARTRPA1
SCHEMBL1636551 0.65 AR (0.44) AR
SCHEMBL1636643 0.64 AR (0.56) CACNA1HARTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120830-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-09-01 US disclosed
US-9120830-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-09-01 US disclosed
US-20140309261-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-10-16 US disclosed
US-20140309261-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-10-16 US disclosed
US-8802865-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-08-12 US disclosed
US-8802865-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-08-12 US disclosed
US-20140031317-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-01-30 US disclosed
US-20140031317-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-01-30 US disclosed
US-8575206-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2013-11-05 US disclosed
US-8575206-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2013-11-05 US disclosed
EP-1984343-B1 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
EP-1984343-B1 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
US-20110166102-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ALFORD JR VERNON C 2011-07-07 US disclosed
US-7932399-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2011-04-26 US disclosed
US-7932399-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2011-04-26 US disclosed
US-20070208014-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-06 US disclosed
US-20070208014-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-06 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 (4 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-20140031317-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MCHR1 968/4885CACNA1H 4193/4885AR 1/4885
US-20110166102-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MCHR1 968/4885CACNA1H 4193/4885AR 1/4885
US-20070208014-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MCHR1 968/4885CACNA1H 4193/4885AR 1/4885
US-20140309261-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MCHR1 968/4885CACNA1H 4193/4885AR 1/4885

“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.