SCHEMBL5777250

SCHEMBL5777250

COc1cccc(OC)c1C(=O)NC(CNC(=O)N1CCC2(CC1)C(=O)N(Cc1c(C)cccc1C)CN2c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.41
OPRL1 P41146 6/20 0.40
NPC1L1 Q9UHC9 4/20 0.40
OPRM1 P35372 5/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
DDR1 Q08345 1/20 0.39
BDKRB2 P30411 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
SCHEMBL5782239 0.92 ENPP2 (0.43) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL5779244 0.92 OPRL1 (0.42) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL5782410 0.90 OPRL1 (0.47) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL5785184 0.90 OPRM1 (0.46) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL5780117 0.89 NPC1L1 (0.44) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL5782784 0.89 OPRL1 (0.48) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL6473614 0.87 OPRL1 (0.42) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL5783558 0.87 ENPP2 (0.47) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL5783193 0.86 L3MBTL1 (0.44) ENPP2OPRL1NPC1L1OPRM1OPRD1
SCHEMBL6483529 0.84 OPRM1 (0.48) ENPP2OPRL1NPC1L1OPRM1OPRD1

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 1140/4885OPRL1 738/4885NPC1L1 2533/4885

“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.