SCHEMBL7079742

SCHEMBL7079742

C=CCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](C(=O)Nc5ccccc5C#N)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.60
SRD5A1 P18405 12/20 0.50
SRD5A2 P31213 2/20 0.48

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
SCHEMBL5211201 1.00 AR (0.60) ARSRD5A1SRD5A2
SCHEMBL7082786 1.00 AR (0.60) ARSRD5A1SRD5A2
SCHEMBL7076328 0.89 AR (0.63) ARSRD5A1SRD5A2
SCHEMBL5211409 0.89 AR (0.63) ARSRD5A1SRD5A2
SCHEMBL7080790 0.89 SRD5A1 (0.64) ARSRD5A1SRD5A2
SCHEMBL5217994 0.89 SRD5A1 (0.64) ARSRD5A1SRD5A2
SCHEMBL5219066 0.87 SRD5A1 (0.61) ARSRD5A1SRD5A2
SCHEMBL7083069 0.87 SRD5A1 (0.61) ARSRD5A1SRD5A2
SCHEMBL5214966 0.87 SRD5A1 (0.66) ARSRD5A1SRD5A2
SCHEMBL7080104 0.87 AR (0.80) ARSRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US claimed
US-20030065004-A1 Androgen receptor modulators and methods for use thereof MERCK SHARP & DOHME CORP. 2003-04-03 US claimed

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-20030065004-A1 Androgen receptor modulators and methods for use thereof AR, FSHR, SHBG AR 1/4885SRD5A1 58/4885SRD5A2 80/4885

“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.