SCHEMBL32673641

SCHEMBL32673641

O=C(O)c1cn2c(n1)CN=C(c1ccccc1F)c1cc(Br)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.47
GABRA5 P31644 7/20 0.47
GABRA2 P47869 7/20 0.47
GABRB2 P47870 7/20 0.47
GABRA3 P34903 6/20 0.47
PTAFR P25105 2/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
OPRK1 P41145 2/20 0.38
CYP3A4 P08684 2/20 0.38
SLC22A1 O15245 1/20 0.38
ABCB11 O95342 1/20 0.38
DRD3 P35462 1/20 0.38
PDE4D Q08499 1/20 0.38
CCKBR P32239 1/20 0.38
MC3R P41968 1/20 0.38
GHSR Q92847 1/20 0.38

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
SCHEMBL32673429 0.90 PTAFR (0.42) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL30752771 0.88 CYP3A4 (0.52) OPRK1CYP3A4SLC22A1ABCB11DRD3
SCHEMBL17375352 0.88 CYP3A4 (0.52) OPRK1CYP3A4SLC22A1ABCB11DRD3
SCHEMBL32673417 0.88 CYP3A4 (0.52) OPRK1CYP3A4SLC22A1ABCB11DRD3
SCHEMBL32673233 0.88 PTAFR (0.45) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL32673242 0.86 OPRK1 (0.40) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL32673212 0.85 DHODH (0.39) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11828467 0.83 GABRA5 (0.48) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL32673590 0.82 AURKA (0.45) OPRK1CYP3A4SLC22A1ABCB11DRD3
SCHEMBL32673259 0.80 OPRK1 (0.43) GABRA1GABRA5GABRA2GABRB2GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042763-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM UNIV JOHNS HOPKINS (US) 2026-02-12 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 (1 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-20260042763-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM GABRB2, GABRB3, GABRB1 GABRA1 9/4885GABRA5 13/4885GABRA2 4/4885

“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.