SCHEMBL6475394

SCHEMBL6475394

CC(C)CN1CN(c2ccccc2)C2(CCN(C(=O)NCC(NC(=O)N3CCC(NC(=O)C(C)C)(c4ccccc4)CC3)C(=O)O)CC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 7/20 0.44
BDKRB2 P30411 1/20 0.40
OPRM1 P35372 5/20 0.39
OPRL1 P41146 5/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
GAA P10253 1/20 0.39
ENPP2 Q13822 2/20 0.39
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
DDR1 Q08345 1/20 0.37

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
SCHEMBL5779267 0.95 OPRM1 (0.45) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5781330 0.93 NPC1L1 (0.44) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5781283 0.92 OPRL1 (0.47) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5780139 0.92 NPC1L1 (0.45) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5783649 0.92 NPC1L1 (0.42) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5779165 0.91 NPC1L1 (0.51) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5782275 0.90 ENPP2 (0.45) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5781256 0.87 OPRM1 (0.47) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL5779633 0.86 OPRM1 (0.46) NPC1L1BDKRB2OPRM1OPRL1OPRD1
SCHEMBL6475712 0.84 OPRM1 (0.48) NPC1L1BDKRB2OPRM1OPRL1OPRD1

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 3 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
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 NPC1L1 2533/4885BDKRB2 318/4885OPRM1 2044/4885

“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.