SCHEMBL21135498

SCHEMBL21135498

COc1ccc(N2CC[C@@H](CO)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.60
MAPK1 P28482 12/20 0.60
ALDH1A1 P00352 10/20 0.60
GAA P10253 6/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
LMNA P02545 2/20 0.60
ALOX12 P18054 1/20 0.60
TDP1 Q9NUW8 11/20 0.57
ATM Q13315 3/20 0.57
KDM4E B2RXH2 5/20 0.56
MCL1 Q07820 3/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALOX15 P16050 2/20 0.54
HTT P42858 1/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL21135455 0.91 MAPT (0.53) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL10643337 0.90 HTR3E (0.57) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL31411741 0.87 HTR3E (0.51) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL23961208 0.85 GRM3 (0.48) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL2938488 0.82 MAPT (0.44) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL12045685 0.82 ADRB1 (0.46) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL21136655 0.82 SPHK2 (0.50) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL6265075 0.81 LTA4H (0.54) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL6266763 0.80 HRH3 (0.44) MAPTMAPK1ALDH1A1GAAL3MBTL1
SCHEMBL25141585 0.80 ALDH1A1 (0.52) MAPTMAPK1ALDH1A1GAAL3MBTL1

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 1241/4885MAPK1 1667/4885ALDH1A1 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.