SCHEMBL14215423

SCHEMBL14215423

O=C1CN=C(c2ccccn2)c2cc(S)ccc2N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.74
PDE4D Q08499 2/20 0.49
CNR1 P21554 1/20 0.49
NTSR1 P30989 1/20 0.49
OPRK1 P41145 1/20 0.49
GABRA1 P14867 9/20 0.48
GABRA5 P31644 9/20 0.48
GABRA3 P34903 9/20 0.48
GABRA2 P47869 8/20 0.48
GABRG2 P18507 7/20 0.48
GABRB3 P28472 7/20 0.48
GABRB2 P47870 6/20 0.48
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48
GABRA6 Q16445 3/20 0.48
GABRG1 Q8N1C3 3/20 0.48
GABRG3 Q99928 3/20 0.48

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
SCHEMBL7377690 0.85 ADRA1A (0.74) ADRA1APDE4DCNR1NTSR1OPRK1
Bromazepam SCHEMBL29521776 0.85 ADRA1A (1.00) ADRA1APDE4DCNR1NTSR1OPRK1
Bromazepam SCHEMBL43933 0.85 ADRA1A (1.00) ADRA1APDE4DCNR1NTSR1OPRK1
Bromazepam SCHEMBL29366892 0.85 ADRA1A (1.00) ADRA1APDE4DCNR1NTSR1OPRK1
Bromazepam SCHEMBL29382152 0.85 ADRA1A (1.00) ADRA1APDE4DCNR1NTSR1OPRK1
SCHEMBL7951942 0.85 ADRA1A (0.74) ADRA1APDE4DCNR1NTSR1OPRK1
SCHEMBL7477766 0.84 ADRA1A (0.72) ADRA1APDE4DCNR1NTSR1OPRK1
SCHEMBL11603293 0.82 ADRA1A (0.69) ADRA1APDE4DCNR1NTSR1OPRK1
SCHEMBL2843048 0.78 ADRA1A (0.64) ADRA1APDE4DCNR1NTSR1OPRK1
SCHEMBL13352287 0.73 GABRA1 (0.51) OPRK1GABRA1GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070299058-A1 Anxiolytic Agents With Reduced Sedative And Ataxic Effects GABRA3, GABRA2, GABRA1 ADRA1A 145/4885PDE4D 1042/4885CNR1 143/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 ADRA1A 145/4885PDE4D 1042/4885CNR1 143/4885
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 ADRA1A 528/4885PDE4D 1746/4885CNR1 113/4885

“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.