SCHEMBL5778835

SCHEMBL5778835

O=C(NC(CNC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.47
OPRK1 P41145 16/20 0.47
OPRL1 P41146 16/20 0.47
OPRD1 P41143 15/20 0.47
ITGB1 P05556 2/20 0.44
ITGAV P06756 2/20 0.44
ITGA5 P08648 2/20 0.44
ITGA4 P13612 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB8 P26012 1/20 0.44

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
SCHEMBL5801590 0.92 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1ITGB1
SCHEMBL5785184 0.91 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1ITGB1
SCHEMBL5783193 0.91 L3MBTL1 (0.44) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5783185 0.91 ITGA4 (0.46) OPRM1OPRK1OPRL1OPRD1ITGA4
SCHEMBL5780332 0.90 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1ITGB1
SCHEMBL5778155 0.90 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5782629 0.90 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5781813 0.90 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1ITGB1
SCHEMBL5779244 0.89 OPRL1 (0.42) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5783277 0.88 ENPP2 (0.49) OPRM1OPRK1OPRL1OPRD1ITGB1

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 OPRM1 2044/4885OPRK1 1419/4885OPRL1 738/4885

“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.