SCHEMBL3869935

SCHEMBL3869935

C[C@]12CCCNC1CC[C@@H]1[C@H]2CC[C@]2(C)C(N)CC[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.38
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP19A1 P11511 1/20 0.35
SRD5A2 P31213 1/20 0.34

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
SCHEMBL15121547 1.00 SRD5A1 (0.38) SRD5A1CDK5CDK5R1KMT2ABCHE
SCHEMBL3869928 1.00 SRD5A1 (0.38) SRD5A1CDK5CDK5R1KMT2ABCHE
SCHEMBL8380414 0.80 SRD5A2 (0.45) KMT2ASRD5A2
SCHEMBL8014771 0.80 SRD5A2 (0.45) KMT2ASRD5A2
SCHEMBL8079491 0.79 SRD5A2 (0.37) SRD5A1CYP19A1SRD5A2
SCHEMBL8079488 0.79 SRD5A2 (0.37) SRD5A1CYP19A1SRD5A2
SCHEMBL518237 0.78 SRD5A2 (0.46) SRD5A1KMT2ASRD5A2
SCHEMBL518238 0.78 SRD5A2 (0.46) SRD5A1KMT2ASRD5A2
SCHEMBL536894 0.78 CDK5 (0.49) CDK5CDK5R1CYP19A1
SCHEMBL994646 0.78 CDK5 (0.49) CDK5CDK5R1CYP19A1

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-1622567-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
EP-1622567-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20080119503-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-7351698-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-20060241107-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME LLC 2006-10-26 US disclosed
EP-1622567-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2006-02-08 EP disclosed
WO-2004100874-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2004-11-25 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-20060241107-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR SRD5A1 42/4885CDK5 2978/4885CDK5R1 1189/4885
US-20080119503-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR SRD5A1 42/4885CDK5 2978/4885CDK5R1 1189/4885

“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.