SCHEMBL13771900

SCHEMBL13771900

Cc1cccnc1CNC(=O)C(CC(C)C)Oc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.45
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
SCN9A Q15858 1/20 0.39
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37

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
SCHEMBL13771920 0.88 AR (0.43) ARSCN9A
SCHEMBL4140893 0.86 AR (0.48) AR
SCHEMBL13771897 0.83 HTT (0.48) AR
SCHEMBL13771896 0.83 AR (0.44) ARSCN9A
SCHEMBL4135308 0.83 AR (0.45) AR
SCHEMBL4141038 0.83 AR (0.45) AR
SCHEMBL4136182 0.81 AR (0.50) ARSCN9A
SCHEMBL4149823 0.81 AR (0.45) AR
SCHEMBL4142384 0.81 AR (0.47) AR
SCHEMBL13771892 0.80 ALDH1A1 (0.49) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG AR 1/4885ADORA2A 935/4885ADORA1 1173/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885ADORA2A 935/4885ADORA1 1173/4885

“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.