SCHEMBL32673246

SCHEMBL32673246

O=C(O)c1cn2c(n1)CN=C(c1ccc(F)cc1F)c1cc(Cl)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.41
PDE4D Q08499 2/20 0.41
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
KMO O15229 2/20 0.40
CYP3A4 P08684 3/20 0.40
DRD3 P35462 2/20 0.40
CNR1 P21554 2/20 0.40
SLC22A1 O15245 1/20 0.40
ABCB11 O95342 1/20 0.40
PTGER1 P34995 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
AURKA O14965 1/20 0.37
KCNH2 Q12809 2/20 0.37
HTR1A P08908 1/20 0.37
HTR3A P46098 1/20 0.37
GHSR Q92847 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRA1 P14867 2/20 0.36

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
SCHEMBL30752771 0.89 CYP3A4 (0.52) OPRK1PDE4DCYP3A4DRD3SLC22A1
SCHEMBL17375352 0.89 CYP3A4 (0.52) OPRK1PDE4DCYP3A4DRD3SLC22A1
SCHEMBL32673417 0.89 CYP3A4 (0.52) OPRK1PDE4DCYP3A4DRD3SLC22A1
SCHEMBL32673592 0.88 OPRK1 (0.49) OPRK1PDE4DGABRA2GABRB2CNR1
SCHEMBL32673593 0.85 OPRK1 (0.49) OPRK1PDE4DGABRA2GABRB2KMO
SCHEMBL32673259 0.85 OPRK1 (0.43) OPRK1PDE4DGABRA2GABRB2CYP3A4
SCHEMBL32673428 0.85 GABRA1 (0.45) OPRK1PDE4DGABRA2GABRB2CYP3A4
SCHEMBL32673429 0.85 PTAFR (0.42) OPRK1PDE4DGABRA2GABRB2CYP3A4
SCHEMBL32673590 0.83 AURKA (0.45) OPRK1PDE4DCYP3A4DRD3SLC22A1
SCHEMBL32673215 0.82 TDP1 (0.55) OPRK1PDE4DGABRA2GABRB2TDP1

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 99/4885PDE4D 2016/4885GABRA2 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.