SCHEMBL32673647

SCHEMBL32673647

COC(=O)c1nc2n(c1N)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.54
CYP3A4 P08684 2/20 0.54
DRD3 P35462 2/20 0.54
PDE4D Q08499 2/20 0.54
SLC22A1 O15245 1/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 1/20 0.46
HTR3A P46098 1/20 0.46
KCNH2 Q12809 1/20 0.46
GHSR Q92847 1/20 0.46
GABRA1 P14867 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRG2 P18507 1/20 0.45
HTR2A P28223 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45

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
SCHEMBL7953761 0.90 OPRK1 (0.57) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL7943682 0.90 OPRK1 (0.55) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL32673419 0.89 OPRK1 (0.54) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL30752786 0.89 OPRK1 (0.54) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL32673427 0.89 OPRK1 (0.55) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL30752754 0.88 OPRK1 (0.53) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL32673217 0.87 OPRK1 (0.52) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL30752757 0.87 OPRK1 (0.52) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL7951245 0.86 OPRK1 (0.53) OPRK1CYP3A4DRD3PDE4DSLC22A1
SCHEMBL30752801 0.84 OPRK1 (0.49) OPRK1CYP3A4DRD3PDE4DSLC22A1

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 OPRK1 99/4885CYP3A4 1171/4885DRD3 704/4885

“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.