SCHEMBL32673642

SCHEMBL32673642

Cc1ccccc1C1=NCc2nc(C(=O)O)cn2-c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.47
GABRA2 P47869 4/20 0.47
PDE4D Q08499 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
GABRB2 P47870 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
BRD4 O60885 1/20 0.45
CNR1 P21554 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43

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
SCHEMBL32673215 0.90 TDP1 (0.55) OPRK1GABRA2PDE4DGABRA1GABRA5
SCHEMBL32673417 0.88 CYP3A4 (0.52) OPRK1PDE4DLMNATDP1TP53
SCHEMBL32673437 0.88 TDP1 (0.48) OPRK1GABRA2PDE4DGABRA1GABRA5
SCHEMBL30752771 0.88 CYP3A4 (0.52) OPRK1PDE4DLMNATDP1TP53
SCHEMBL17375352 0.88 CYP3A4 (0.52) OPRK1PDE4DLMNATDP1TP53
SCHEMBL32673259 0.84 OPRK1 (0.43) OPRK1GABRA2PDE4DGABRA1GABRA5
SCHEMBL32673428 0.82 GABRA1 (0.45) OPRK1GABRA2PDE4DGABRA1GABRA5
SCHEMBL19107735 0.81 OPRK1 (0.53) OPRK1GABRA2PDE4DGABRA1GABRA5
SCHEMBL32673246 0.81 OPRK1 (0.41) OPRK1GABRA2PDE4DGABRA1GABRA5
SCHEMBL30752756 0.81 OPRK1 (0.51) OPRK1GABRA2PDE4DGABRA1GABRA5

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 99/4885GABRA2 4/4885PDE4D 2016/4885

“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.