SCHEMBL21135457

SCHEMBL21135457

OC[C@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.58
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PPARG P37231 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
CDK1 P06493 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TYMP P19971 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 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
SCHEMBL21135481 1.00 FFAR1 (0.58) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL21135576 0.95 FFAR1 (0.53) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL1584946 0.83 FFAR1 (0.43) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL78460 0.83 FFAR1 (0.43) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL12082150 0.83 FFAR1 (0.58) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL21136648 0.83 FFAR1 (0.46) FFAR1PPARGSPHK2SPHK1FPR2
SCHEMBL4890984 0.83 FFAR1 (0.43) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL21135743 0.83 FFAR1 (0.46) FFAR1PPARGSPHK2SPHK1FPR2
SCHEMBL1584947 0.83 FFAR1 (0.43) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL12082152 0.83 FFAR1 (0.58) FFAR1ADORA3ADORA2AADORA1PPARG

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 FFAR1 1161/4885ADORA3 43/4885ADORA2A 575/4885

“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.