SCHEMBL2641048

SCHEMBL2641048

CN1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4NC(=O)Nc4ccc(C(F)(F)F)cc4C(F)(F)F)C3CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.65
SRD5A1 P18405 4/20 0.52
SRD5A2 P31213 2/20 0.52
LMNA P02545 1/20 0.52
ABCB11 O95342 1/20 0.52
GLRA1 P23415 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2639220 0.92 AR (0.62) ARSRD5A1SRD5A2LMNAKCNH2
SCHEMBL4801200 0.92 AR (0.62) ARSRD5A1SRD5A2LMNAKCNH2
SCHEMBL4801209 0.92 AR (0.62) ARSRD5A1SRD5A2LMNAKCNH2
SCHEMBL14223747 0.91 AR (0.57) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL2641287 0.90 AR (0.56) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL4799711 0.90 AR (0.56) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL4799705 0.90 AR (0.56) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL14184876 0.90 AR (0.77) ARSRD5A1SRD5A2KCNH2
SCHEMBL2641215 0.90 AR (0.77) ARSRD5A1SRD5A2KCNH2
SCHEMBL4801324 0.88 AR (0.58) ARSRD5A1SRD5A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622567-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-07-24 EP claimed
JP-4832303-B2 2011-12-07 JP claimed
EP-1622567-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2009-04-29 EP claimed
US-20060241107-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME LLC 2006-10-26 US claimed
EP-1622567-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2006-02-08 EP claimed
WO-2004100874-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2004-11-25 WO claimed
EP-1622567-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
US-20080119503-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-7351698-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-20060241107-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME LLC 2006-10-26 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-20060241107-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR AR 3/4885SRD5A1 42/4885SRD5A2 57/4885
US-20080119503-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR AR 3/4885SRD5A1 42/4885SRD5A2 57/4885

“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.