SCHEMBL4170713

SCHEMBL4170713

Cc1cccc(NC(=O)C2CC[C@H]3[C@@H]4CCC5N(C)C(=O)C(F)=C[C@]5(C)[C@@H]4CC[C@]23C)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 16/20 0.61
SRD5A2 P31213 9/20 0.61
AR P10275 2/20 0.56

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
SCHEMBL4170710 1.00 SRD5A1 (0.61) SRD5A1SRD5A2AR
SCHEMBL4182230 0.93 SRD5A1 (0.63) SRD5A1SRD5A2AR
SCHEMBL4182225 0.93 SRD5A1 (0.63) SRD5A1SRD5A2AR
SCHEMBL4184796 0.91 AR (0.60) SRD5A1SRD5A2AR
SCHEMBL4184794 0.91 AR (0.60) SRD5A1SRD5A2AR
SCHEMBL4183243 0.90 SRD5A1 (0.62) SRD5A1SRD5A2AR
SCHEMBL4183246 0.90 SRD5A1 (0.62) SRD5A1SRD5A2AR
SCHEMBL4187781 0.87 SRD5A1 (0.61) SRD5A1SRD5A2AR
SCHEMBL4187777 0.87 SRD5A1 (0.61) SRD5A1SRD5A2AR
SCHEMBL4174715 0.85 AR (0.60) SRD5A1SRD5A2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2009-03-26 US claimed
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MEISSNER ROBERT S 2007-04-19 US claimed
US-7186838-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-03-06 US claimed
US-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-07-28 US claimed
EP-1485095-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-15 EP claimed
WO-2003077919-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-09-25 WO claimed
US-7625920-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2009-03-26 US disclosed
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MEISSNER ROBERT S 2007-04-19 US disclosed
US-7186838-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1485095-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-15 EP disclosed
WO-2003077919-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-09-25 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 (3 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-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885AR 2/4885
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885AR 2/4885
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885AR 2/4885

“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.