SCHEMBL21136628

SCHEMBL21136628

OC[C@@H]1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
ALOX5 P09917 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
WDR91 A4D1P6 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6271661 1.00 NOTUM (0.55) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL6265075 0.91 LTA4H (0.54) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL21135496 0.90 NOTUM (0.49) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL21135458 0.90 NOTUM (0.49) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL6271445 0.90 NOTUM (0.49) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL6694318 0.89 HTR3E (0.53) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL12045685 0.83 ADRB1 (0.46) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL15652597 0.83 MAPT (0.43) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL13735219 0.83 MAPT (0.43) NOTUMKMT2AMEN1MAPTMAPK1
SCHEMBL15651591 0.83 MAPT (0.43) NOTUMKMT2AMEN1MAPTMAPK1

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 NOTUM 2703/4885KMT2A 4561/4885MEN1 1966/4885

“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.