SCHEMBL643029

SCHEMBL643029

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.73
GRIN2B Q13224 2/20 0.73
GRIN2D O15399 1/20 0.73
GRIN2A Q12879 1/20 0.73
GRIN2C Q14957 1/20 0.73
GABRP O00591 4/20 0.69
GABRD O14764 4/20 0.69
GABRA1 P14867 4/20 0.69
GABRB1 P18505 4/20 0.69
GABRG2 P18507 4/20 0.69
GABRB3 P28472 4/20 0.69
GABRA5 P31644 4/20 0.69
GABRA3 P34903 4/20 0.69
GABRA2 P47869 4/20 0.69
GABRB2 P47870 4/20 0.69
GABRA4 P48169 4/20 0.69
GABRE P78334 4/20 0.69
GABRA6 Q16445 4/20 0.69
GABRG1 Q8N1C3 4/20 0.69
GABRG3 Q99928 4/20 0.69

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
SCHEMBL7979058 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL12178039 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL16937805 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2980777 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2981376 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2589576 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2981380 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19733059 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL22449551 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL24022389 0.93 MAPK1 (0.64) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
EP-3087082-B1 ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA SOCPRA SCIENCES ET GENIE SEC (CA) 2023-10-11 EP disclosed
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 US disclosed
US-10716797-B2 Steroid alkaloids and compositions and kits thereof SOCPRA SCIENCES ET GÉNIE S.E.C. (CA) 2020-07-21 US disclosed
US-20190008875-A1 STEROID ALKALOIDS AND COMPOSITIONS AND KITS THEREOF UNIVERSITé DE SHERBROOKE (CA) 2019-01-10 US disclosed
US-10137137-B2 ATP synthase inhibitors and steroid alkaloids and uses thereof as antimicrobial agents and as potentiators for aminoglycosides against pathogenic bacteria SOCPRA SCIENCES ET GENIE S.E.C. (CA) 2018-11-27 US disclosed
US-20160317556-A1 ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA SOCPRA SCIENCES ET GENIE S.E.C. 2016-11-03 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-20130203718-A1 PROGESTERONE RECEPTOR ANTAGONISTS AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-08-08 US disclosed
EP-2275109-B1 Pregnane steroids for use in the treatment of CNS disorders UMECRINE AB (SE) 2013-07-24 EP disclosed
CN-101601674-A The pregnane steroids that is used for the treatment of the central nervous system function disorder UMECRINE AB (SE) 2009-12-16 CN disclosed
CN-101601675-A The pregnane steroids that is used for the treatment of the central nervous system function disorder UMECRINE AB (SE) 2009-12-16 CN disclosed
CN-100518741-C Pregnane steroids for the treatment of central nervous system disorders UMECRINE AB (SE) 2009-07-29 CN disclosed
EP-1704161-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS Endorecherche, Inc. (CA) 2006-09-27 EP disclosed
US-20050250749-A1 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. 2005-11-10 US disclosed
US-20050222099-A1 Pregnane steroids for use in the treatment of cns disorders UMECRINE AB (SE) 2005-10-06 US disclosed
WO-2005066194-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS ENDORECHERCHE, INC. (CA) 2005-07-21 WO disclosed
CN-1607954-A Pregnane steroids for the treatment of central nervous system disorders UMECRINE AB (SE) 2005-04-20 CN disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 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 (8 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 GRIN1 2519/4885GRIN2B 2012/4885GRIN2D 3231/4885
US-20050250749-A1 Helix 12 directed pharmaceutical products SHBG, AR, NR5A1 GRIN1 3802/4885GRIN2B 4127/4885GRIN2D 4460/4885
US-20160317556-A1 ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA ATP5ME, ATP5MG, ATP5F1A GRIN1 1274/4885GRIN2B 3137/4885GRIN2D 3127/4885
US-20190008875-A1 STEROID ALKALOIDS AND COMPOSITIONS AND KITS THEREOF ATP5ME, ATP5MG, ATP5F1A GRIN1 2168/4885GRIN2B 3032/4885GRIN2D 4276/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 GRIN1 2519/4885GRIN2B 2012/4885GRIN2D 3231/4885
US-20130203718-A1 PROGESTERONE RECEPTOR ANTAGONISTS AND USES THEREOF PGR, PGRMC2, PGRMC1 GRIN1 1845/4885GRIN2B 1550/4885GRIN2D 4036/4885
US-10137137-B2 ATP synthase inhibitors and steroid alkaloids and uses thereof as antimicrobial agents and as potentiators for aminoglycosides against pathogenic bacteria ATP5ME, ATP5MG, ATP5F1A GRIN1 1274/4885GRIN2B 3137/4885GRIN2D 3127/4885
US-10716797-B2 Steroid alkaloids and compositions and kits thereof ATP5ME, ATP5MG, ATP5F1A GRIN1 2168/4885GRIN2B 3032/4885GRIN2D 4276/4885

“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.