SCHEMBL5780803

SCHEMBL5780803

COC(=O)C(CNC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
CCR3 P51677 1/20 0.44
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
DRD3 P35462 4/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
HTR2A P28223 1/20 0.42
KYNU Q16719 1/20 0.41
CCR1 P32246 1/20 0.41
TGM2 P21980 1/20 0.40
BDKRB2 P30411 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 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
SCHEMBL5779237 0.95 ITGB3 (0.47) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5950667 0.88 NPC1L1 (0.47) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6481441 0.83 ENPP2 (0.47) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5780213 0.83 OPRM1 (0.50) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5781916 0.83 OPRM1 (0.52) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5950410 0.82 ITGB1 (0.45) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6619869 0.82 NPC1L1 (0.48) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5950185 0.82 ITGB3 (0.49) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5783441 0.81 OPRM1 (0.47) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6481297 0.80 NPC1L1 (0.50) OPRM1OPRK1OPRL1

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.