SCHEMBL4269554

SCHEMBL4269554

C[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.64
SRD5A1 P18405 2/20 0.63
NR3C1 P04150 1/20 0.59
SHBG P04278 1/20 0.59
PGR P06401 1/20 0.59
SERPINA6 P08185 1/20 0.59
NR3C2 P08235 1/20 0.59
CYP3A4 P08684 1/20 0.59
AR P10275 1/20 0.59
CYP19A1 P11511 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MGAM O43451 1/20 0.59

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
SCHEMBL5682764 1.00 SRD5A2 (0.64) SRD5A2SRD5A1NR3C1SHBGPGR
SCHEMBL4269548 1.00 SRD5A2 (0.64) SRD5A2SRD5A1NR3C1SHBGPGR
SCHEMBL4278292 1.00 SRD5A2 (0.64) SRD5A2SRD5A1NR3C1SHBGPGR
SCHEMBL13843998 0.85 SRD5A1 (0.65) SRD5A2SRD5A1AR
SCHEMBL9546858 0.85 SRD5A1 (0.65) SRD5A2SRD5A1AR
SCHEMBL8064151 0.84 SRD5A1 (0.67) SRD5A2SRD5A1AR
SCHEMBL8064153 0.84 SRD5A1 (0.67) SRD5A2SRD5A1AR
SCHEMBL13844000 0.83 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL5907001 0.83 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477862 0.83 SRD5A2 (0.73) SRD5A2SRD5A1ARGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 EP disclosed
US-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-05-19 US disclosed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 WO disclosed
EP-0880540-B1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE AVENTIS PHARMA INC (US) 2002-06-12 EP disclosed
US-6365597-B1 FOR THERAPY OF ANDROGEN AND ESTROGEN MEDIATED DISORDERS, INCLUDING BENIGN PROSTATIC HYPERPLASIA, ANDROGEN MEDIATED PROSTATE CANCER, ESTROGEN MEDIATED BREAST CANCER AND ACNE AVENTIS PHARMACEUTICALS INC. 2002-04-02 US disclosed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed
EP-0880540-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1998-12-02 EP disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
WO-1997030069-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1997-08-21 WO disclosed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US disclosed
EP-0641204-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP 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-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators SHBG, CYP19A1, NR5A1 SRD5A2 11/4885SRD5A1 5/4885NR3C1 31/4885

“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.