SCHEMBL7675728

SCHEMBL7675728

C[C@H](Nc1ccccn1)C(=O)N1CCN(CCCC(=O)OC(=O)CCCN2CCN(CCCNc3ccccn3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
ADRA1A P35348 6/20 0.46
DRD3 P35462 6/20 0.46
TP53 P04637 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGB6 P18564 1/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL7675733 0.91 DRD2 (0.47) DRD2ADRA1ADRD3ITGB3ITGAV
SCHEMBL2833670 0.84 KDM4E (0.42) DRD2ADRA1ADRD3TP53HRH2
SCHEMBL2833676 0.84 KDM4E (0.42) DRD2ADRA1ADRD3TP53HRH2
SCHEMBL2843026 0.76 DRD3 (0.56) DRD2ADRA1ADRD3ITGB3ITGAV
SCHEMBL7675724 0.74 DRD2 (0.49) DRD2ADRA1ADRD3ITGB3ITGAV
SCHEMBL2833666 0.72 KDM4E (0.49) DRD2ADRA1ADRD3ITGB3ITGAV
Trifluoroacetic Acid SCHEMBL5856786 0.71 DRD2 (0.53) DRD2ADRA1ADRD3ITGB3ITGAV
SCHEMBL13118499 0.70 DRD2 (0.61) DRD2ADRA1ADRD3
SCHEMBL12973188 0.69 DRD2 (0.60) DRD2ADRA1ADRD3
SCHEMBL5856769 0.68 ALDH1A1 (0.57) DRD2ADRA1ADRD3ITGB3ITGAV

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US claimed

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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV DRD2 1646/4885ADRA1A 192/4885DRD3 1763/4885

“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.