SCHEMBL4466397

SCHEMBL4466397

CC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)NCc4nc5ccccc5[nH]4)CC[C@H]3[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
SRD5A2 P31213 12/20 0.45
SRD5A1 P18405 3/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL13603575 1.00 AR (0.47) ARSRD5A2SRD5A1KMT2A
SCHEMBL4466399 1.00 AR (0.47) ARSRD5A2SRD5A1KMT2A
SCHEMBL13610944 1.00 AR (0.47) ARSRD5A2SRD5A1KMT2A
SCHEMBL4482279 0.93 OPRM1 (0.43) ARSRD5A2SRD5A1KMT2A
SCHEMBL4468867 0.93 OPRM1 (0.43) ARSRD5A2SRD5A1KMT2A
SCHEMBL4466061 0.90 AR (0.42) ARSRD5A2SRD5A1
SCHEMBL4466059 0.90 AR (0.42) ARSRD5A2SRD5A1
SCHEMBL4468665 0.89 AR (0.41) ARSRD5A2SRD5A1
SCHEMBL4468660 0.89 AR (0.41) ARSRD5A2SRD5A1
SCHEMBL4469848 0.86 SRD5A2 (0.46) ARSRD5A2SRD5A1

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
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US claimed
US-20060281761-A1 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-12-14 US claimed
US-20050131005-A1 4-azasteroid derivatives as androgen receptor modulators WANG JIABING (US) 2005-06-16 US claimed
EP-1501512-A2 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-02-02 EP claimed
WO-2003092588-A2 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-11-13 WO claimed
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20060281761-A1 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-12-14 US disclosed
US-20050131005-A1 4-azasteroid derivatives as androgen receptor modulators WANG JIABING (US) 2005-06-16 US disclosed
EP-1501512-A2 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2003092588-A2 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-11-13 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 (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-20060281761-A1 4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 AR 2/4885SRD5A2 9/4885SRD5A1 5/4885
US-20050131005-A1 4-azasteroid derivatives as androgen receptor modulators AR, NR5A1, NR3C1 AR 1/4885SRD5A2 9/4885SRD5A1 5/4885

“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.