SCHEMBL5779633

SCHEMBL5779633

CCC(=O)NC1(c2ccccc2)CCN(C(=O)NC(CNC(=O)N2CCC3(CC2)C(=O)N(CC)CN3c2ccccc2)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 2/20 0.46
NPC1L1 Q9UHC9 13/20 0.43
ENPP2 Q13822 2/20 0.41
BDKRB2 P30411 1/20 0.41
DDR1 Q08345 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
SCHEMBL5780139 0.95 NPC1L1 (0.45) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5778927 0.94 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5782674 0.93 NPC1L1 (0.42) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5781256 0.93 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5779267 0.92 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5783847 0.91 ENPP2 (0.43) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5781330 0.87 NPC1L1 (0.44) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL6475712 0.87 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL6475394 0.86 NPC1L1 (0.44) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5781283 0.85 OPRL1 (0.47) OPRM1OPRD1OPRK1OPRL1NPC1L1

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 2044/4885OPRD1 1982/4885OPRK1 1419/4885

“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.