SCHEMBL21135514

SCHEMBL21135514

N#Cc1ccc(N2CCC[C@@H](CO)C2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
CHRM4 P08173 4/20 0.46
PANK3 Q9H999 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
SMO Q99835 1/20 0.43
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
KHK P50053 1/20 0.41

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
SCHEMBL12683464 0.87 GPR119 (0.46) MAP4K4CHRM4PANK3KDM4EALDH1A1
SCHEMBL24038794 0.86 DPP4 (0.47) CHRM4PANK3KDM4EALDH1A1GPR119
SCHEMBL30090305 0.86 DPP4 (0.47) CHRM4PANK3KDM4EALDH1A1GPR119
SCHEMBL2225620 0.84 USP30 (0.49) CHRM4PANK3GPR119DPP4DPP8
SCHEMBL29462081 0.83 RET (0.48) CHRM4PANK3KDM4EALDH1A1GPR119
SCHEMBL18787362 0.81 HCRTR1 (0.46) MAP4K4CHRM4KDM4EALDH1A1POLB
SCHEMBL21135741 0.80 PDE10A (0.56) MAP4K4POLBGPR119FPR1FPR2
SCHEMBL15034199 0.80 PDE10A (0.56) MAP4K4PIK3CAMTORPOLBGPR119
SCHEMBL2224211 0.80 MAP4K4 (0.50) MAP4K4KDM4EALDH1A1GPR119SMO
SCHEMBL21135569 0.80 MEN1 (0.47) MAP4K4PIK3CAMTORKDM4EALDH1A1

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 MAP4K4 1927/4885PIK3CA 785/4885MTOR 2135/4885

“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.