SCHEMBL12082152

SCHEMBL12082152

Cc1ccc(N2CCC[C@H]2CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.58
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PPARG P37231 1/20 0.43
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LMNA P02545 2/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12082150 1.00 FFAR1 (0.58) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL14220704 1.00 FFAR1 (0.58) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL3184089 0.95 FFAR1 (0.53) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL29141469 0.84 KMT2A (0.44) FFAR1ADORA3ADORA2AADORA1MKNK1
SCHEMBL1584946 0.83 FFAR1 (0.43) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL21135457 0.83 FFAR1 (0.58) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL78460 0.83 FFAR1 (0.43) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL21135481 0.83 FFAR1 (0.58) FFAR1ADORA3ADORA2AADORA1PPARG
SCHEMBL21136648 0.83 FFAR1 (0.46) FFAR1PPARGMKNK1MKNK2CCNE2
SCHEMBL21135743 0.83 FFAR1 (0.46) FFAR1PPARGMKNK1MKNK2CCNE2

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 10 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
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
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 US disclosed
US-20180298030-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION Université de Montréal (CA) 2018-10-18 US disclosed
EP-3371196-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION Université de Montréal (CA) 2018-09-12 EP disclosed
WO-2017066863-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2017-04-27 WO disclosed
WO-2017066863-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2017-04-27 WO disclosed
US-8258129-B2 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 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 (3 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
US-20180298030-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION F12, F2, F3 FFAR1 1161/4885ADORA3 43/4885ADORA2A 575/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 FFAR1 2906/4885ADORA3 991/4885ADORA2A 1107/4885

“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.