SCHEMBL2909333

SCHEMBL2909333

CC(=O)OC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@H]2CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.69
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP19A1 P11511 14/20 0.48
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
SERPINA6 P08185 1/20 0.44
GUSB P08236 1/20 0.44
G6PD P11413 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL21140787 1.00 SRD5A2 (0.69) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL9226234 0.89 SRD5A2 (0.68) SRD5A2CYP3A4ALDH1A1HSD17B10CYP19A1
SCHEMBL9226232 0.89 SRD5A2 (0.68) SRD5A2CYP3A4ALDH1A1HSD17B10CYP19A1
SCHEMBL17591557 0.84 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL17831186 0.84 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL15079264 0.84 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL6379452 0.84 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL11517545 0.82 SRD5A2 (0.73) SRD5A2CYP3A4CYP19A1MEN1LMNA
SCHEMBL13217277 0.82 SRD5A2 (0.47) SRD5A2ALDH1A1HSD17B10CYP19A1SHBG
SCHEMBL14199313 0.82 SRD5A2 (0.50) SRD5A2CYP3A4TDP1ALDH1A1HSD17B10

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912737-B2 19-nor neuroactive steroids and methods of use thereof Sage Therpeutics, Inc. (US) 2024-02-27 US disclosed
EP-4144746-A1 NEUROACTIVE STEROIDS, COMPOSITIONS AND USES THEREOF Sage Therapeutics, Inc. (US) 2023-03-08 EP disclosed
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-02-08 US disclosed
EP-3909966-A1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROID FOR USE IN THERAPY Sage Therapeutics, Inc. (US) 2021-11-17 EP disclosed
US-20210139531-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2021-05-13 US disclosed
US-20210061849-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-03-04 US disclosed
US-20210061850-A1 NEUROACTIVE STERIODS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-03-04 US disclosed
US-10822370-B2 19-nor neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
EP-3705488-A1 NEUROACTIVE STEROIDS, COMPOSITIONS AND USES THEREOF Sage Therapeutics, Inc. (US) 2020-09-09 EP disclosed
US-20200165291-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2020-05-28 US disclosed
US-20170233432-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2017-08-17 US disclosed
US-9512165-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20160108080-A1 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-21 US disclosed
US-20160068563-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-10 US disclosed
WO-2014169833-A9 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-03 WO disclosed
WO-2015180679-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-12-03 WO disclosed
WO-2014169836-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 WO disclosed
WO-2014169833-A1 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 WO disclosed
EP-2215104-A1 11 -FLUORO-3-ACETOXYESTRA-3,5-DIENE-17-ON AND METHOD FOR THE PRODUCTION THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-11 EP disclosed
WO-2009053008-A1 11Β-FLUORO-3-ACETOXYESTRA-3,5-DIENE-17-ON AND METHOD FOR THE PRODUCTION THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-30 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 (10 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-20160108080-A1 19-NOR C3, 3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF NR3C2, CYP11B1, NR3C1 SRD5A2 578/4885CYP3A4 197/4885CYP2C9 285/4885
US-20200165291-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CNR1, NR3C2, CNR2 SRD5A2 484/4885CYP3A4 284/4885CYP2C9 575/4885
US-20210061850-A1 NEUROACTIVE STERIODS, COMPOSITIONS, AND USES THEREOF HSD3B1, HTR3B, HSD3B2 SRD5A2 256/4885CYP3A4 258/4885CYP2C9 535/4885
US-11912737-B2 19-nor neuroactive steroids and methods of use thereof NR3C2, HSD3B1, HSD3B2 SRD5A2 230/4885CYP3A4 357/4885CYP2C9 421/4885
US-11241446-B2 19-nor C3, 3-disubstituted C21-N-pyrazolyl steroids and methods of use thereof NR3C2, NR3C1, CYP11B1 SRD5A2 454/4885CYP3A4 197/4885CYP2C9 264/4885
US-20210139531-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 SRD5A2 230/4885CYP3A4 357/4885CYP2C9 421/4885
US-20160068563-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 SRD5A2 230/4885CYP3A4 357/4885CYP2C9 421/4885
US-20170233432-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 SRD5A2 230/4885CYP3A4 357/4885CYP2C9 421/4885
US-10822370-B2 19-nor neuroactive steroids and methods of use thereof NR3C2, HSD3B1, HSD3B2 SRD5A2 230/4885CYP3A4 357/4885CYP2C9 421/4885
US-20210061849-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CNR1, NR3C2, CNR2 SRD5A2 484/4885CYP3A4 284/4885CYP2C9 575/4885

“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.