SCHEMBL5783277

SCHEMBL5783277

CN1CN(c2ccccc2)C2(CCN(C(=O)NCC(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)CC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.49
ITGB1 P05556 2/20 0.45
ITGAV P06756 2/20 0.45
ITGA5 P08648 2/20 0.45
ITGA4 P13612 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGB5 P18084 1/20 0.45
ITGB8 P26012 1/20 0.45
OPRM1 P35372 9/20 0.45
OPRK1 P41145 9/20 0.45
OPRL1 P41146 9/20 0.45
OPRD1 P41143 8/20 0.45
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
HTR2A P28223 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL5950473 0.93 ENPP2 (0.47) ENPP2ITGB1ITGAVITGA5ITGA4
SCHEMBL6481441 0.93 ENPP2 (0.47) ENPP2OPRM1OPRK1OPRL1OPRD1
SCHEMBL5780452 0.91 ENPP2 (0.51) ENPP2ITGB3OPRM1OPRK1OPRL1
SCHEMBL5778155 0.90 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5801590 0.90 OPRM1 (0.48) ENPP2ITGB1ITGAVITGA5ITGA4
SCHEMBL5780856 0.90 ENPP2 (0.54) ENPP2ITGB1ITGA4OPRM1OPRK1
SCHEMBL5780332 0.89 OPRM1 (0.47) ENPP2ITGB1ITGAVITGA5ITGA4
SCHEMBL5781916 0.88 OPRM1 (0.52) ENPP2ITGB3OPRM1OPRK1OPRL1
SCHEMBL5783558 0.88 ENPP2 (0.47) ENPP2ITGB3OPRM1OPRK1OPRL1
SCHEMBL5778835 0.88 OPRM1 (0.47) ITGB1ITGAVITGA5ITGA4ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329451-B1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES (JP) 2006-08-23 EP disclosed
US-6919349-B2 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES, INC. (JP) 2005-07-19 US disclosed
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES INC. (JP) 2004-05-06 US disclosed
EP-1329451-A1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-23 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-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient VCAM1, ICAM1, SELL ENPP2 1140/4885ITGB1 8/4885ITGAV 39/4885

“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.