SCHEMBL7080640

SCHEMBL7080640

CCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)C)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.62
AR P10275 3/20 0.53
KCNH2 Q12809 1/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
HSD3B1 P14060 1/20 0.47
SRD5A1 P18405 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL5217723 1.00 SRD5A2 (0.62) SRD5A2ARKCNH2LMNACYP3A4
SCHEMBL20368986 0.87 SRD5A2 (0.62) SRD5A2ARLMNACYP3A4CYP2C9
SCHEMBL5247468 0.86 AR (0.58) SRD5A2ARKCNH2
SCHEMBL5339929 0.86 AR (0.58) SRD5A2ARKCNH2
SCHEMBL5242813 0.86 AR (0.55) SRD5A2ARKCNH2
SCHEMBL5341211 0.86 AR (0.55) SRD5A2ARKCNH2
SCHEMBL5215956 0.85 SRD5A1 (0.64) SRD5A2ARSRD5A1
SCHEMBL7079738 0.85 SRD5A1 (0.64) SRD5A2ARSRD5A1
SCHEMBL5218071 0.83 AR (0.58) SRD5A2ARSRD5A1
SCHEMBL7077337 0.83 AR (0.58) SRD5A2ARSRD5A1

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 4 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
US-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US disclosed
US-20030065004-A1 Androgen receptor modulators and methods for use thereof MERCK SHARP & DOHME CORP. 2003-04-03 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-20030065004-A1 Androgen receptor modulators and methods for use thereof AR, FSHR, SHBG SRD5A2 80/4885AR 1/4885KCNH2 4717/4885

“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.