SCHEMBL21135576

SCHEMBL21135576

OCC1CCCCN1c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.53
TYMP P19971 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
CUL4A Q13619 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
FPR1 P21462 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
SCHEMBL21135457 0.95 FFAR1 (0.58) FFAR1TYMPKDM4EGAAHTT
SCHEMBL21135481 0.95 FFAR1 (0.58) FFAR1TYMPKDM4EGAAHTT
SCHEMBL3164051 0.85 MAP2K7 (0.44) FFAR1TYMPCUL4A
SCHEMBL3172808 0.83 FFAR1 (0.42) FFAR1TYMPKDM4ECUL4ASPHK2
SCHEMBL29349020 0.83 FFAR1 (0.40) FFAR1TYMPCUL4APPARG
SCHEMBL78175 0.83 ALDH1A1 (0.42) FFAR1TYMPKDM4EGAAHTT
SCHEMBL3174734 0.83 TYMP (0.46) FFAR1TYMPCUL4ACDK1
SCHEMBL3184089 0.83 FFAR1 (0.53) FFAR1TYMPKDM4EHTTCUL4A
SCHEMBL6231189 0.83 FFAR1 (0.48) FFAR1TYMPCUL4AADORA3ADORA2A
SCHEMBL1533287 0.83 FFAR1 (0.48) FFAR1TYMPCUL4AADORA3ADORA2A

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 1161/4885TYMP 1450/4885KDM4E 2886/4885

“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.