SCHEMBL21135462

SCHEMBL21135462

OCC1CCCN(c2ncc(F)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
KHK P50053 2/20 0.46
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
IRAK1 P51617 1/20 0.42
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP4K4 O95819 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM4 P08173 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL24240522 0.73 OPRK1 (0.38) PTGS1PTGS2KHKPIK3CAMTOR
SCHEMBL21135466 0.71 CYP3A4 (0.56) CYP3A4CYP2C19MAP4K4KDM4EALDH1A1
SCHEMBL7146014 0.71 CYP3A4 (0.56) CYP3A4CYP2C19MAP4K4KDM4EALDH1A1
SCHEMBL21135575 0.71 CYP3A4 (0.56) CYP3A4CYP2C19MAP4K4KDM4EALDH1A1
SCHEMBL15857988 0.70 CHRM4 (0.43) CHRM2CHRM5CHRM1CHRM4
SCHEMBL23779726 0.70 SCN10A (0.63) PTGS1PTGS2SCN10A
SCHEMBL21906156 0.70 SCN10A (0.63) PTGS1PTGS2SCN10A
SCHEMBL30066350 0.69 PDE10A (0.48)
SCHEMBL24670690 0.69 PDE10A (0.48)
SCHEMBL24656055 0.69 KHK (0.49) PTGS1PTGS2KHKPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 PTGS1 255/4885PTGS2 780/4885KHK 2840/4885

“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.