SCHEMBL21136604

SCHEMBL21136604

OCC1CCCN(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
FPR1 P21462 3/20 0.49
FPR2 P25090 3/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
TRPA1 O75762 4/20 0.47
PTGES O14684 2/20 0.47
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10178052 0.85 NOTUM (0.49) NOTUMFPR1FPR2TRPA1HRH4
SCHEMBL26970085 0.83 NOTUM (0.58) NOTUMTRPA1KDM2BCA12CA2
SCHEMBL21135466 0.83 CYP3A4 (0.56) NOTUMTRPA1CYP3A4CYP2C19
SCHEMBL7146014 0.83 CYP3A4 (0.56) NOTUMTRPA1CYP3A4CYP2C19
SCHEMBL21135575 0.83 CYP3A4 (0.56) NOTUMTRPA1CYP3A4CYP2C19
SCHEMBL25855629 0.81 ESR1 (0.45) CYP3A4CYP2C19
SCHEMBL2166648 0.81 HRH4 (0.56) NOTUMPTGESHRH4HRH3CA12
SCHEMBL13346444 0.80 TRPA1 (0.58) NOTUMFPR1FPR2TRPA1KDM2B
SCHEMBL21135458 0.80 NOTUM (0.49) NOTUMKCNH2MCHR1
SCHEMBL6271445 0.80 NOTUM (0.49) NOTUMKCNH2MCHR1

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 NOTUM 2703/4885FPR1 187/4885FPR2 624/4885

“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.