SCHEMBL5779244

SCHEMBL5779244

COc1cccc(OC)c1C(=O)NC(CNC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.42
OPRM1 P35372 5/20 0.42
OPRK1 P41145 5/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1L1 Q9UHC9 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 3/20 0.40
BDKRB2 P30411 1/20 0.40
OPRD1 P41143 4/20 0.40

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
SCHEMBL6473614 0.95 OPRL1 (0.42) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL5782410 0.92 OPRL1 (0.47) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL5777250 0.92 ENPP2 (0.41) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL5780117 0.91 NPC1L1 (0.44) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL5782784 0.91 OPRL1 (0.48) OPRL1OPRM1OPRK1NPC1L1ENPP2
SCHEMBL5783193 0.90 L3MBTL1 (0.44) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL5783558 0.89 ENPP2 (0.47) OPRL1OPRM1OPRK1NPC1L1ENPP2
SCHEMBL5778835 0.89 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1
SCHEMBL5783185 0.88 ITGA4 (0.46) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL5782629 0.87 OPRM1 (0.46) OPRL1OPRM1OPRK1MEN1CYP3A4

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 OPRL1 738/4885OPRM1 2044/4885OPRK1 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.