SCHEMBL5950765

SCHEMBL5950765

CC(NC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.50
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
NPC1L1 Q9UHC9 10/20 0.45
TSHR P16473 1/20 0.42
CCR3 P51677 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5802422 0.88 NPC1L1 (0.49) NPC1L1
SCHEMBL5800911 0.88 NPC1L1 (0.49) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5800244 0.84 CCR5 (0.52) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL17149434 0.84 ENPP2 (0.56) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6619869 0.83 NPC1L1 (0.48) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5801129 0.82 ENPP2 (0.55) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6629784 0.81 ENPP2 (0.51) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5950667 0.81 NPC1L1 (0.47) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL17140692 0.79 NPC1L1 (0.58) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6632197 0.76 ENPP2 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2006-10-26 US disclosed
EP-1489081-A1 SPIRO DERIVATIVES AND ADHESION MOLECULE INHIBITORS COMPRISING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2004-12-22 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-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient VCAM1, SELL, ICAM1 ENPP2 1493/4885OPRM1 3794/4885OPRD1 2333/4885

“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.