SCHEMBL5780452

SCHEMBL5780452

Cc1cccc(C)c1C(=O)NC(CNC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.51
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
HTR2A P28223 1/20 0.43
CCR3 P51677 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
BDKRB2 P30411 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL5781137 0.94 ENPP2 (0.48) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5783277 0.91 ENPP2 (0.49) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5780856 0.91 ENPP2 (0.54) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5781729 0.90 OPRM1 (0.50) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6483529 0.90 OPRM1 (0.48) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5781916 0.89 OPRM1 (0.52) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5783558 0.89 ENPP2 (0.47) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5783193 0.88 L3MBTL1 (0.44) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5782239 0.88 ENPP2 (0.43) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5783140 0.88 NPC1L1 (0.46) ENPP2OPRM1OPRD1OPRK1OPRL1

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 1140/4885OPRM1 2044/4885OPRD1 1982/4885

“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.