SCHEMBL6503968

SCHEMBL6503968

CC(=O)N([C@@H](CNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1)C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PRMT5 O14744 7/20 0.40
TLR2 O60603 2/20 0.38
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
WDR77 Q9BQA1 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6499257 0.88 PRMT5 (0.38) CNR1CNR2PRMT5TLR2DRD2
SCHEMBL6496378 0.83 ITGB3 (0.42) CNR1CNR2PRMT5TLR2DRD2
SCHEMBL6499974 0.82 ITGB3 (0.43) CNR1CNR2PRMT5TLR2DRD2
SCHEMBL7464402 0.82 CNR1 (0.44) CNR1CNR2PRMT5TLR2DRD2
SCHEMBL6503934 0.81 ITGB3 (0.42) CNR1CNR2PRMT5TLR2DRD2
SCHEMBL381720 0.79 ITGB3 (0.43) PRMT5DRD2DRD3ITGB3ITGAV
SCHEMBL6499264 0.77 ITGAV (0.49) ITGB3ITGAVITGA2B
SCHEMBL6499934 0.76 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL382401 0.75 ITGB3 (0.46) PRMT5WDR77ITGB3ITGAVITGA2B
SCHEMBL6496334 0.75 CNR1 (0.43) CNR1CNR2DRD2DRD3PDGFRB

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 681/4885PRMT5 1126/4885

“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.