SCHEMBL4660328

SCHEMBL4660328

COc1ccc(CN2C(=O)C=C[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](CO)CC[C@H]5[C@@H]4CC[C@@H]23)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.50
KCNH2 Q12809 6/20 0.47
SRD5A1 P18405 1/20 0.42

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
SCHEMBL13403372 1.00 AR (0.50) ARKCNH2SRD5A1
SCHEMBL3507163 0.89 AR (0.46) ARKCNH2SRD5A1
SCHEMBL3506851 0.87 SRD5A1 (0.49) ARKCNH2SRD5A1
SCHEMBL3506854 0.87 SRD5A1 (0.49) ARKCNH2SRD5A1
SCHEMBL13403371 0.87 SRD5A1 (0.49) ARKCNH2SRD5A1
SCHEMBL13403376 0.87 AR (0.44) ARKCNH2SRD5A1
SCHEMBL13403373 0.86 SRD5A1 (0.51) ARKCNH2SRD5A1
SCHEMBL3505598 0.86 SRD5A1 (0.51) ARKCNH2SRD5A1
SCHEMBL3505597 0.86 SRD5A1 (0.51) ARKCNH2SRD5A1
SCHEMBL13403346 0.81 AR (0.74) ARKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641535-A4 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-05-14 EP disclosed
US-7312229-B2 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-12-25 US disclosed
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-04-19 US disclosed
EP-1696925-A2 21-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
EP-1641535-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005044988-A2 21-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-05-19 WO disclosed
WO-2005005380-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-01-20 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 (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-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 AR 2/4885KCNH2 4495/4885SRD5A1 11/4885

“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.