SCHEMBL201956

SCHEMBL201956

CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(C2CCCCC2)N=N1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
AR P10275 11/20 0.42
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
GCGR P47871 1/20 0.40
GIPR P48546 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL201678 0.86 AR (0.43) TRPA1ARBRAFKDRTAS2R14
SCHEMBL202521 0.84 AR (0.45) ARBRAFKDR
SCHEMBL203511 0.84 AR (0.46) ARTAS2R14
SCHEMBL2701123 0.83 RORC (0.35) AR
SCHEMBL202831 0.83 AR (0.45) AR
SCHEMBL202750 0.82 AR (0.44) AR
SCHEMBL203478 0.82 AR (0.47) AR
SCHEMBL202733 0.81 AR (0.47) AR
SCHEMBL203651 0.80 AR (0.42) AR
SCHEMBL201828 0.80 AR (0.48) ARKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817292-B1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
US-8088811-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-8088811-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 US disclosed
US-7781473-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMS) J & J Pharmaceutical Research & Development, LLC. (US) 2010-08-24 US disclosed
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2009-05-21 US disclosed
US-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 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 (2 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-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 TRPA1 1158/4885AR 1/4885BRAF 2031/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 TRPA1 1158/4885AR 1/4885BRAF 2031/4885

“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.