SCHEMBL4275791

SCHEMBL4275791

CN1C(=O)C=C[C@@]2(C)C1CC[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 2)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 1.00
KCNH2 Q12809 5/20 0.73

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
SCHEMBL4275786 1.00 AR (1.00) ARKCNH2
SCHEMBL13965618 1.00 AR (1.00) ARKCNH2
SCHEMBL13656759 1.00 AR (1.00) ARKCNH2
SCHEMBL14336691 0.87 AR (0.77) ARKCNH2
SCHEMBL4799057 0.86 AR (0.75) ARKCNH2
SCHEMBL4799062 0.86 AR (0.75) ARKCNH2
SCHEMBL5116733 0.85 AR (0.74) ARKCNH2
SCHEMBL13403346 0.85 AR (0.74) ARKCNH2
SCHEMBL13403347 0.85 AR (0.74) ARKCNH2
SCHEMBL5874196 0.85 AR (0.74) ARKCNH2

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 14 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
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-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
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-5237065-A Steroid 5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1993-08-17 US disclosed
EP-0277002-B1 STEROID-5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-17 EP disclosed
US-5110939-A Antiandrogens SMITHKLINE BEECHAM CORPORATION (US) 1992-05-05 US disclosed
US-4888336-A DECREASE DIHYDROTESTOSTERONE ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1989-12-19 US disclosed
EP-0277002-A2 Steroid-5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-08-03 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 AR 6/4885KCNH2 4762/4885

“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.