SCHEMBL13320804

SCHEMBL13320804

Cc1ncc2n1-c1ccc(Br)cc1C(c1ccccc1F)=NC2

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.77
OPRK1 P41145 2/20 0.77
SLC22A1 O15245 1/20 0.77
ABCB11 O95342 1/20 0.77
DRD3 P35462 1/20 0.77
PDE4D Q08499 1/20 0.77
GABRA1 P14867 8/20 0.51
GABRA5 P31644 8/20 0.51
GABRA2 P47869 8/20 0.51
GABRB2 P47870 8/20 0.51
GABRA3 P34903 6/20 0.51
PTAFR P25105 3/20 0.51
TSHR P16473 1/20 0.51
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
CCKBR P32239 1/20 0.41
MC3R P41968 1/20 0.41
GHSR Q92847 1/20 0.41

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
SCHEMBL7307929 0.87 CYP3A4 (0.77) CYP3A4OPRK1SLC22A1ABCB11DRD3
Midazolam SCHEMBL29565146 0.87 OPRK1 (1.00) CYP3A4OPRK1SLC22A1ABCB11DRD3
Midazolam SCHEMBL5783371 0.87 OPRK1 (1.00) CYP3A4OPRK1SLC22A1ABCB11DRD3
SCHEMBL7309516 0.87 CYP3A4 (0.77) CYP3A4OPRK1SLC22A1ABCB11DRD3
SCHEMBL13320809 0.87 GABRA1 (0.68) CYP3A4OPRK1SLC22A1ABCB11DRD3
Midazolam SCHEMBL29735381 0.87 OPRK1 (1.00) CYP3A4OPRK1SLC22A1ABCB11DRD3
Midazolam SCHEMBL29480459 0.87 OPRK1 (1.00) CYP3A4OPRK1SLC22A1ABCB11DRD3
Midazolam SCHEMBL35061 0.87 OPRK1 (1.00) CYP3A4OPRK1SLC22A1ABCB11DRD3
Midazolam SCHEMBL29357425 0.87 OPRK1 (1.00) CYP3A4OPRK1SLC22A1ABCB11DRD3
Midazolam SCHEMBL41265 0.86 OPRK1 (0.98) CYP3A4OPRK1SLC22A1ABCB11DRD3

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-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-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-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-05-08 US disclosed
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-05-08 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 (2 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-20100130481-A1 ANTICONVULSANT AND ANXIOLYTIC METHODS OF USING RECEPTOR SUBTYPE SELECTIVE AGENTS GABRA3, GABRA2, GABRA1 CYP3A4 392/4885OPRK1 72/4885SLC22A1 1841/4885
US-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 CYP3A4 290/4885OPRK1 173/4885SLC22A1 1859/4885

“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.