SCHEMBL6812901

SCHEMBL6812901

CO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.69
▸ GPBAR1 Q8TDU6 3/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ CYP1A2 P05177 2/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ SHBG P04278 1/20 0.69
▸ SERPINA6 P08185 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ GABRP O00591 2/20 0.61
▸ GABRD O14764 2/20 0.61
▸ G6PD P11413 2/20 0.61
▸ GABRA1 P14867 2/20 0.61
▸ GABRB1 P18505 2/20 0.61
▸ GABRG2 P18507 2/20 0.61
▸ GABRB3 P28472 2/20 0.61
▸ GABRA5 P31644 2/20 0.61
▸ GABRA3 P34903 2/20 0.61
▸ GABRA2 P47869 2/20 0.61

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
SCHEMBL7376650 1.00 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL19750469 1.00 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL25854513 1.00 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL6816494 1.00 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL8499073 1.00 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL15426615 1.00 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL6812905 1.00 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL15959419 0.86 LMNA (0.52) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL15837753 0.86 LMNA (0.52) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL15959577 0.86 LMNA (0.52) LMNAGPBAR1CYP3A4CYP1A2CYP2C9

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-20230190770-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME WASHINGTON UNIVERSITY 2023-06-22 — — US disclosed
US-20170232006-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME WASHINGTON UNIVERSITY 2017-08-17 — — US disclosed
US-20170190732-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME WASHINGTON UNIVERSITY 2017-07-06 — — US disclosed
US-9676812-B2 Neuroactive 19-alkoxy-17-substituted steroids, prodrugs thereof, and methods of treatment using same WASHINGTON UNIVERSITY (US) 2017-06-13 — — US disclosed
US-20170152282-A9 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME WASHINGTON UNIVERSITY (US) 2017-06-01 — — US disclosed
US-9630986-B2 Neuroactive 19-alkoxy-17-substituted steroids, prodrugs thereof, and methods of treatment using same WASHINGTON UNIVERSITY (US) 2017-04-25 — — US disclosed
US-20150315230-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME WASHINGTON UNIVERSITY (US) 2015-11-05 — — US disclosed
US-20140235600-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME WASHINGTON UNIVERSITY (US) 2014-08-21 — — US disclosed
EP-0837874-B1 NEUROACTIVE STEROIDS OF THE ANDROSTANE AND PREGNANE SERIES EURO CELTIQUE SA (LU) 2004-12-15 — — EP disclosed
US-6780853-B1 FOR MODULATING BRAIN EXCITABILITY EURO-CELTIQUE S.A. (LU) 2004-08-24 — — US disclosed
EP-1288220-A2 Neuroactive 3.alpha.-hydroxy-steroids of the androstane and pregnane series Purdue Pharma Ltd. (US) 2003-03-05 — — EP disclosed
US-5925630-A MODULATION OF BRAIN EXCITABILITY TO RELIEVE STRESS, ANXIETY, INSOMNIA AND MOOD DISORDERS COCENSYS, INC. (US) 1999-07-20 — — US disclosed
EP-0837874-A2 NEUROACTIVE STEROIDS OF THE ANDROSTANE AND PREGNANE SERIES Cocensys, Inc. (US) 1998-04-29 — — EP disclosed
WO-1996040043-A2 NEUROACTIVE STEROIDS OF THE ANDROSTANE AND PREGNANE SERIES COCENSYS, INC. (US) 1996-12-19 — — WO disclosed
US-4297350-A ORAL ANTIFERTILITY AGENTS; REVERSIBLE THE UPJOHN COMPANY (US) 1981-10-27 — — US 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 (6 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-20140235600-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME GABBR1, CYP21A2, SLC18A2 LMNA 3809/4885GPBAR1 462/4885CYP3A4 193/4885
US-20170190732-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME GABBR1, CYP21A2, SLC18A2 LMNA 3809/4885GPBAR1 462/4885CYP3A4 193/4885
US-20170232006-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME GABBR1, CYP21A2, SLC18A2 LMNA 3809/4885GPBAR1 462/4885CYP3A4 193/4885
US-20230190770-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME GABBR1, CYP21A2, SLC18A2 LMNA 3809/4885GPBAR1 462/4885CYP3A4 193/4885
US-20170152282-A9 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME GABBR1, CYP21A2, SLC18A2 LMNA 3809/4885GPBAR1 462/4885CYP3A4 193/4885
US-20150315230-A1 NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME GABBR1, CYP21A2, SLC18A2 LMNA 3809/4885GPBAR1 462/4885CYP3A4 193/4885

“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.

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