SCHEMBL6503936

SCHEMBL6503936

CC(C)(C)CC(=O)NOC(=O)CCNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
KDR P35968 3/20 0.41
PDGFRB P09619 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
DRD4 P21917 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
VCP P55072 2/20 0.35
F10 P00742 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
SCHEMBL6496334 0.90 CNR1 (0.43) CNR1CNR2KDRPDGFRBHDAC3
SCHEMBL7466337 0.89 CNR1 (0.43) CNR1CNR2KDRPDGFRBHDAC3
SCHEMBL7464413 0.85 CNR1 (0.45) CNR1CNR2KDRPDGFRBHDAC3
SCHEMBL7467073 0.83 VCP (0.41) CNR1CNR2HDAC3HDAC1DRD2
SCHEMBL381765 0.81 ALDH1A1 (0.46) CNR1CNR2HDAC1DRD2DRD3
SCHEMBL7457979 0.81 SFRP1 (0.42) CNR1CNR2DRD2DRD3KDM4E
SCHEMBL6503934 0.80 ITGB3 (0.42) CNR1CNR2HDAC1DRD2DRD3
SCHEMBL7468782 0.79 DRD4 (0.42) CNR1CNR2DRD2DRD3HTT
SCHEMBL6499244 0.79 CNR1 (0.38) CNR1CNR2KDRPDGFRBHDAC3
SCHEMBL383372 0.78 ITGB3 (0.42) HDAC6

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US claimed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 CNR1 446/4885CNR2 681/4885KDR 33/4885

“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.