SCHEMBL5783259

SCHEMBL5783259

O=C(NC(CCC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.52
OPRM1 P35372 11/20 0.52
OPRL1 P41146 10/20 0.52
OPRD1 P41143 9/20 0.52
PLD2 O14939 5/20 0.46
PLD1 Q13393 4/20 0.46
ADORA3 P0DMS8 2/20 0.46
HTR2C P28335 2/20 0.46
AVPR1A P37288 1/20 0.46
HTR1A P08908 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA5 P08648 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB5 P18084 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
SCHEMBL5782560 0.91 OPRK1 (0.53) OPRK1OPRM1OPRL1OPRD1PLD2
SCHEMBL5778116 0.89 CCR5 (0.48) OPRK1OPRM1OPRL1OPRD1PLD2
SCHEMBL5782643 0.86 OPRK1 (0.52) OPRK1OPRM1OPRL1OPRD1PLD2
SCHEMBL6807415 0.82 ITGA4 (0.50) OPRK1OPRM1OPRL1OPRD1ITGB1
SCHEMBL6807468 0.79 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL5779538 0.76 OPRK1 (0.51) OPRK1OPRM1OPRL1OPRD1PLD2
SCHEMBL26330934 0.75 OPRM1 (0.61) OPRK1OPRM1OPRL1OPRD1ADORA3
SCHEMBL5784756 0.75 PLD1 (0.52) OPRK1PLD2PLD1ADORA3HTR2C
SCHEMBL26330832 0.74 OPRM1 (0.69) OPRK1OPRM1OPRL1OPRD1PLD1
SCHEMBL13602001 0.74 ITGB1 (0.66) OPRK1OPRM1OPRL1OPRD1ADORA3

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 OPRK1 1419/4885OPRM1 2044/4885OPRL1 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.