SCHEMBL4471676

SCHEMBL4471676

CC1=C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(C(=O)NCc4cn5ccccc5n4)CC[C@H]3[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 9/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SRD5A1 P18405 3/20 0.39

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
SCHEMBL4471672 1.00 SRD5A2 (0.44) SRD5A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4470863 0.94 KDM4E (0.46) SRD5A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4470867 0.94 KDM4E (0.46) SRD5A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4483689 0.88 SRD5A2 (0.42) SRD5A2SRD5A1
SCHEMBL4483686 0.88 SRD5A2 (0.42) SRD5A2SRD5A1
SCHEMBL4476341 0.86 SRD5A2 (0.48) SRD5A2SRD5A1
SCHEMBL4476347 0.86 SRD5A2 (0.48) SRD5A2SRD5A1
SCHEMBL6358541 0.86 SRD5A2 (0.48) SRD5A2SRD5A1
SCHEMBL4472551 0.85 SRD5A2 (0.44) SRD5A2SRD5A1
SCHEMBL4472555 0.85 SRD5A2 (0.44) SRD5A2SRD5A1

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 SRD5A2 9/4885KDM4E 604/4885ALDH1A1 1068/4885
US-20050131005-A1 4-azasteroid derivatives as androgen receptor modulators AR, NR5A1, NR3C1 SRD5A2 9/4885KDM4E 573/4885ALDH1A1 1093/4885

“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.