SCHEMBL7053339

SCHEMBL7053339

O=C(O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.54
PPARA Q07869 1/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
USP2 O75604 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
CNR1 P21554 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
HCAR3 P49019 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
METAP1 P53582 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7463214 1.00 CASR (0.54) CASRPPARADRD2DRD3USP2
SCHEMBL7467132 0.96 CASR (0.51) CASRPPARADRD2DRD3USP2
SCHEMBL382583 0.93 CASR (0.54) CASRDRD2DRD3USP2CNR1
SCHEMBL383181 0.93 CASR (0.54) CASRDRD2DRD3USP2CNR1
SCHEMBL7461745 0.88 CASR (0.55) CASRPPARAUSP2CNR1ITGB3
SCHEMBL6497606 0.87 KDM4E (0.54) CASRPPARADRD2DRD3KDM4E
SCHEMBL6498986 0.87 KDM4E (0.54) CASRPPARADRD2DRD3KDM4E
SCHEMBL383016 0.85 DRD2 (0.55) CASRDRD2DRD3USP2KDM4E
SCHEMBL7468246 0.83 OPRK1 (0.49) CASRDRD2DRD3KDM4EGAA
SCHEMBL7054705 0.83 OPRK1 (0.49) CASRDRD2DRD3KDM4EGAA

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
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 CASR 647/4885PPARA 1327/4885DRD2 1933/4885

“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.