SCHEMBL21135455

SCHEMBL21135455

COc1ccc(N2CCCC(CO)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
GRM3 Q14832 3/20 0.53
ALDH1A1 P00352 7/20 0.51
MAPK1 P28482 6/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 6/20 0.49
ATM Q13315 2/20 0.49
KDM4E B2RXH2 3/20 0.48
MCL1 Q07820 3/20 0.48
HPGD P15428 1/20 0.48
SLC18A3 Q16572 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47

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
SCHEMBL23961208 0.93 GRM3 (0.48) MAPTGRM3ALDH1A1MAPK1GAA
SCHEMBL21135498 0.91 MAPT (0.60) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL21136655 0.90 SPHK2 (0.50) MAPTGRM3ALDH1A1MAPK1GAA
SCHEMBL28984333 0.87 MAPT (0.49) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL31411741 0.84 HTR3E (0.51) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL7790528 0.83 EPHX2 (0.51) ADRB1CYP2D6
SCHEMBL25855629 0.81 ESR1 (0.45) TDP1KMT2AHTTCYP3A4CYP2D6
SCHEMBL10643337 0.81 HTR3E (0.57) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL21135496 0.80 NOTUM (0.49) MAPTALDH1A1MAPK1LMNAHTR3E
SCHEMBL21135458 0.80 NOTUM (0.49) MAPTALDH1A1MAPK1LMNAHTR3E

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 MAPT 1241/4885GRM3 2099/4885ALDH1A1 1559/4885

“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.