SCHEMBL6499236

SCHEMBL6499236

CC(C)(C)N(OC(=O)CCNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
VCP P55072 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
LRRK2 Q5S007 2/20 0.35
DRD4 P21917 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 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
SCHEMBL381718 0.93 ALDH1A1 (0.38) DRD2DRD3GRIN2BKDM4EMAPT
SCHEMBL382399 0.88 ITGB3 (0.40) GRIN2BMAPTALDH1A1LMNANPSR1
SCHEMBL383135 0.88 ITGB3 (0.43) DRD2DRD3DRD4
SCHEMBL7467073 0.84 VCP (0.41) CNR1CNR2VCPDRD2DRD3
SCHEMBL382907 0.83 GRIN2B (0.35) GRIN2BMAPTALDH1A1LMNANPSR1
SCHEMBL6496334 0.83 CNR1 (0.43) CNR1CNR2VCPDRD2DRD3
SCHEMBL6499244 0.83 CNR1 (0.38) CNR1CNR2DRD2DRD3KDM4E
SCHEMBL6499257 0.82 PRMT5 (0.38) CNR1CNR2VCPDRD2DRD3
SCHEMBL7464413 0.79 CNR1 (0.45) CNR1CNR2DRD2DRD3KDM4E
SCHEMBL383427 0.78 SMN1; SMN2 (0.38) KDM4EMAPTALDH1A1LMNANPSR1

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 681/4885VCP 3923/4885

“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.