SCHEMBL15412346

SCHEMBL15412346

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 3/20 0.65
▸ GRIN2B Q13224 3/20 0.65
▸ GRIN2D O15399 1/20 0.65
▸ GRIN2A Q12879 1/20 0.65
▸ GRIN2C Q14957 1/20 0.65
▸ GABRP O00591 4/20 0.61
▸ GABRD O14764 4/20 0.61
▸ GABRA1 P14867 4/20 0.61
▸ GABRB1 P18505 4/20 0.61
▸ GABRG2 P18507 4/20 0.61
▸ GABRB3 P28472 4/20 0.61
▸ GABRA5 P31644 4/20 0.61
▸ GABRA3 P34903 4/20 0.61
▸ GABRA2 P47869 4/20 0.61
▸ GABRB2 P47870 4/20 0.61
▸ GABRA4 P48169 4/20 0.61
▸ GABRE P78334 4/20 0.61
▸ GABRA6 Q16445 4/20 0.61
▸ GABRG1 Q8N1C3 4/20 0.61
▸ GABRG3 Q99928 4/20 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
SCHEMBL25186704 1.00 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15672787 1.00 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL3118670 1.00 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL25189601 1.00 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15992717 0.91 GRIN1 (0.54) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL25193007 0.88 GRIN1 (0.50) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL25194108 0.88 GRIN1 (0.50) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15412131 0.88 G6PD (0.64) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL21030708 0.88 GRIN1 (0.51) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL1550994 0.85 GRIN2D (0.47) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-9512170-B2 Neuroactive 13, 17-substituted steroids as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2016-12-06 — — 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-9457033-B2 Steroid alkaloids and uses thereof as antimicrobial agents against electron transport-deficient microbes and as potentiators for antimicrobial agents against pathogenic bacteria SOCPRA SCIENCES ET GENIE, S.E.C. (CA) 2016-10-04 — — US disclosed
US-20140249120-A1 NEUROACTIVE 13, 17-SUBSTITUTED STEROIDS AS MODULATORS FOR GABA TYPE-A RECEPTORS WASHINGTON UNIVERSITY (US) 2014-09-04 — — US disclosed
US-20140018312-A1 STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AGAINST ELECTRON TRANSPORT-DEFICIENT MICROBES AND AS POTENTIATORS FOR ANTIMICROBIAL AGENTS AGAINST PATHOGENIC BACTERIA SOCPRA SCIENCES ET GENIE, S.E.C. (CA) 2014-01-16 — — 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-20140018312-A1 STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AGAINST ELECTRON TRANSPORT-DEFICIENT MICROBES AND AS POTENTIATORS FOR ANTIMICROBIAL AGENTS AGAINST PATHOGENIC BACTERIA TOMM70, TIMM50, TIMM10 GRIN1 709/4885GRIN2B 1879/4885GRIN2D 1132/4885
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-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
US-20140249120-A1 NEUROACTIVE 13, 17-SUBSTITUTED STEROIDS AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRB3, GABRA3, GABRA4 GRIN1 65/4885GRIN2B 50/4885GRIN2D 121/4885

“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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