SCHEMBL6481297

SCHEMBL6481297

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 19/20 0.50
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL6473615 0.91 NPC1L1 (0.50) NPC1L1
SCHEMBL5950667 0.89 NPC1L1 (0.47) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL5779643 0.85 OPRL1 (0.43) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL6474755 0.84 ENPP2 (0.44) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL6473614 0.84 OPRL1 (0.42) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL6474705 0.84 OPRL1 (0.47) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL5800911 0.83 NPC1L1 (0.49) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL6475235 0.83 OPRL1 (0.41) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL5782629 0.83 OPRM1 (0.46) NPC1L1OPRM1OPRK1OPRL1
SCHEMBL6619869 0.83 NPC1L1 (0.48) NPC1L1OPRM1OPRK1OPRL1

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-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

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 NPC1L1 2533/4885OPRM1 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.