SCHEMBL21135574

SCHEMBL21135574

COc1ccc(N2CCCC(CO)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.49
MAPT P10636 1/20 0.48
HRH3 Q9Y5N1 4/20 0.46
GRM3 Q14832 3/20 0.46
PKM P14618 1/20 0.43
PDE10A Q9Y233 1/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
PTGER4 P35408 2/20 0.41
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
SCHEMBL30790756 0.84 HRH3 (0.55) HRH3PDE10A
SCHEMBL15034199 0.83 PDE10A (0.56) MAP4K4PDE10AFPR1FPR2PTGER4
SCHEMBL21135741 0.80 PDE10A (0.56) MAP4K4PDE10AFPR1FPR2PTGER4
SCHEMBL21135455 0.80 MAPT (0.53) MAPTGRM3PKM
SCHEMBL19355691 0.80 MAP4K4 (0.49) MAP4K4PDE10AFPR1FPR2PTGER4
SCHEMBL16046361 0.79 MAP4K4 (0.48) MAP4K4MAPTHRH3GRM3PKM
Hydrochloric Acid SCHEMBL16046701 0.78 MAP4K4 (0.47) MAP4K4MAPTHRH3GRM3PKM
SCHEMBL14650779 0.77 UBE2T (0.51) MAPTHRH3
SCHEMBL21135514 0.77 MAP4K4 (0.52) MAP4K4FPR1FPR2KHK
SCHEMBL21135724 0.77 MAPT (0.60) MAPTGRM3PKMPDE10A

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 1927/4885MAPT 1241/4885HRH3 87/4885

“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.