SCHEMBL21135461

SCHEMBL21135461

OCC1CCCN(c2nncs2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
KHK P50053 1/20 0.40
MAP4K4 O95819 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CDK8 P49336 1/20 0.39
GLS O94925 2/20 0.39
TYMP P19971 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ADORA2A P29274 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4335029 0.74 GLS (0.47) KHKHRH3GLS
SCHEMBL5950192 0.73 HRH3 (0.43) POLBKMT2AHRH3ALDH1A1KDM4E
SCHEMBL21135573 0.72 CDK8 (0.46) POLBHTTKMT2AKHKMAP4K4
SCHEMBL28378104 0.70 GLS (0.40) POLBKMT2AKHKHRH3GLS
SCHEMBL28712904 0.69 HRH3 (0.38) KMT2AHRH3GLSALDH1A1KDM4E
SCHEMBL30455873 0.68 HRH3 (0.34) KMT2AHRH3GLSALDH1A1KDM4E
SCHEMBL1026858 0.68 HRH3 (0.47) HRH3GLS
SCHEMBL21135447 0.67 CYP2D6 (0.52) POLBHTTKMT2AMAP4K4TYMP
SCHEMBL21135739 0.67 CYP2D6 (0.52) POLBHTTKMT2AMAP4K4TYMP
SCHEMBL30089630 0.67 HRH3 (0.40) KMT2AHRH3GLSADORA2A

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 POLB 4358/4885HTT 2643/4885KMT2A 4561/4885

“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.