SCHEMBL7720960

SCHEMBL7720960

C[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.61
CNR1 P21554 1/20 0.61
NTSR1 P30989 1/20 0.61
OPRK1 P41145 1/20 0.61
GABRA1 P14867 6/20 0.61
GABRA5 P31644 6/20 0.61
GABRA3 P34903 6/20 0.61
GABRA2 P47869 5/20 0.61
GABRG2 P18507 4/20 0.61
GABRB3 P28472 4/20 0.61
GABRB2 P47870 4/20 0.59
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.51
CHRM1 P11229 4/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46

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
SCHEMBL7721415 0.85 GABRA1 (0.64) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL13009749 0.85 GABRA1 (0.66) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL2843048 0.84 ADRA1A (0.64) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL11249580 0.83 PDE4D (0.67) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL26648747 0.83 PDE4D (0.67) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL7723209 0.82 GABRA1 (0.64) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL11821347 0.79 CHRM1 (0.71) PDE4DCNR1NTSR1OPRK1GABRA1
Ro-053061 SCHEMBL2615409 0.76 PDE4D (0.71) PDE4DCNR1NTSR1OPRK1GABRA1
Ro-053061 SCHEMBL2615407 0.76 PDE4D (0.71) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL1421181 0.76 KMT2A (0.82) PDE4DCNR1NTSR1OPRK1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-27 US disclosed
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 US disclosed
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-05-08 US disclosed
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-12-27 US disclosed
US-7235656-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-06-26 US disclosed
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-08 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 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 (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-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 PDE4D 1042/4885CNR1 143/4885NTSR1 2864/4885
US-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 PDE4D 446/4885CNR1 2/4885NTSR1 588/4885
US-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 PDE4D 984/4885CNR1 41/4885NTSR1 346/4885
US-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 PDE4D 1042/4885CNR1 143/4885NTSR1 2864/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 PDE4D 1042/4885CNR1 143/4885NTSR1 2864/4885
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders GABRA3, GABRA6, GABRA4 PDE4D 1746/4885CNR1 113/4885NTSR1 1369/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 PDE4D 605/4885CNR1 56/4885NTSR1 1557/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 PDE4D 371/4885CNR1 37/4885NTSR1 844/4885

“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.