SCHEMBL3795654

SCHEMBL3795654

CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.61
CYP19A1 P11511 11/20 0.59
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
SERPINA6 P08185 1/20 0.53
GUSB P08236 1/20 0.53
CYP3A4 P08684 1/20 0.53
G6PD P11413 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL7617616 1.00 SRD5A1 (0.61) SRD5A1CYP19A1MEN1LMNASHBG
SCHEMBL10274186 0.90 CYP19A1 (0.59) SRD5A1CYP19A1MEN1LMNASHBG
SCHEMBL3801921 0.85 CYP19A1 (0.53) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL31095095 0.84 LMNA (0.52) SRD5A1CYP19A1MEN1LMNASHBG
SCHEMBL18927101 0.84 LMNA (0.52) SRD5A1CYP19A1MEN1LMNASHBG
SCHEMBL26495305 0.84 LMNA (0.52) SRD5A1CYP19A1MEN1LMNASHBG
SCHEMBL3803360 0.84 CYP2C19 (0.54) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL7137478 0.84 SRD5A1 (0.58) SRD5A1CYP19A1
SCHEMBL9941024 0.84 SRD5A1 (0.58) SRD5A1CYP19A1
SCHEMBL7137474 0.84 SRD5A1 (0.58) SRD5A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2660241-A2 C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 BioMarin Pharmaceutical Inc. (US) 2013-11-06 EP disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 US disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 US disclosed
WO-2012083112-A2 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2012-06-21 WO disclosed
US-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US 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

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-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS CYP17A1, HSD17B1, CYP21A2 SRD5A1 24/4885CYP19A1 4/4885MEN1 2677/4885
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS CYP4A11, HSD17B11, CYP21A2 SRD5A1 38/4885CYP19A1 10/4885MEN1 2870/4885

“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.