SCHEMBL3506830

SCHEMBL3506830

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)Nc5ccccc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.60
KCNH2 Q12809 5/20 0.54
SRD5A2 P31213 1/20 0.51

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
SCHEMBL3507360 0.92 AR (0.59) ARKCNH2SRD5A2
SCHEMBL3505656 0.91 AR (0.58) ARKCNH2SRD5A2
SCHEMBL3506725 0.91 AR (0.58) ARKCNH2SRD5A2
SCHEMBL3506893 0.91 AR (0.58) ARKCNH2SRD5A2
SCHEMBL3507380 0.91 AR (0.57) ARKCNH2SRD5A2
SCHEMBL3506550 0.90 AR (0.58) ARKCNH2SRD5A2
SCHEMBL3506849 0.90 AR (0.54) ARKCNH2SRD5A2
SCHEMBL3506208 0.90 AR (0.56) ARKCNH2SRD5A2
SCHEMBL3506031 0.90 AR (0.56) ARKCNH2SRD5A2
SCHEMBL4660334 0.90 AR (0.56) ARKCNH2SRD5A2

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 6 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 claimed
US-20060287326-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-12-21 US claimed
EP-1641535-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP claimed
WO-2005005380-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-01-20 WO claimed
US-7696217-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-20060287326-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-12-21 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 (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-20060287326-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators AR, NR5A1, NR3C1 AR 1/4885KCNH2 4648/4885SRD5A2 19/4885

“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.