SCHEMBL4086444

SCHEMBL4086444

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)NCc5ncccc5CO)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.51
SRD5A2 P31213 1/20 0.47
KCNH2 Q12809 4/20 0.46

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
SCHEMBL4082795 0.91 AR (0.52) ARSRD5A2KCNH2
SCHEMBL4086441 0.90 AR (0.51) ARKCNH2
SCHEMBL4086639 0.90 AR (0.51) ARSRD5A2KCNH2
SCHEMBL4079885 0.89 AR (0.50) ARKCNH2
SCHEMBL4087736 0.88 AR (0.51) ARSRD5A2KCNH2
SCHEMBL4077889 0.88 AR (0.57) ARSRD5A2KCNH2
SCHEMBL4077588 0.86 AR (0.54) ARSRD5A2KCNH2
SCHEMBL13940962 0.86 AR (0.54) ARSRD5A2KCNH2
SCHEMBL4082380 0.86 AR (0.54) ARSRD5A2KCNH2
SCHEMBL4082844 0.85 AR (0.56) ARSRD5A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US claimed
US-20060258661-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-11-16 US claimed

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-20060258661-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators AR, SHBG, NR5A1 AR 1/4885SRD5A2 23/4885KCNH2 4524/4885

“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.