SCHEMBL6475299

SCHEMBL6475299

CC(C)CN1CN(c2ccccc2)C2(CCN(C(=O)NCC(NC(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)C(=O)O)CC2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
OPRK1 P41145 5/20 0.49
PLD1 Q13393 10/20 0.46
PLD2 O14939 4/20 0.46
NPC1L1 Q9UHC9 1/20 0.45
CALCRL Q16602 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRL1 P41146 3/20 0.44

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
SCHEMBL5779165 0.93 NPC1L1 (0.51) OPRK1NPC1L1OPRM1OPRD1OPRL1
SCHEMBL5783375 0.91 CTSB (0.50) CTSBCTSSCTSKOPRK1PLD1
SCHEMBL6481140 0.90 OPRK1 (0.52) CTSBCTSSCTSKOPRK1PLD1
SCHEMBL5782996 0.89 CTSB (0.53) CTSBCTSSCTSKOPRK1PLD1
SCHEMBL5780094 0.88 CTSB (0.58) CTSBCTSSCTSKOPRK1PLD1
SCHEMBL5781330 0.84 NPC1L1 (0.44) OPRK1NPC1L1OPRM1OPRD1OPRL1
SCHEMBL6475394 0.84 NPC1L1 (0.44) CTSBCTSSCTSKOPRK1NPC1L1
SCHEMBL5783140 0.83 NPC1L1 (0.46) OPRK1NPC1L1OPRM1OPRD1OPRL1
SCHEMBL5780139 0.83 NPC1L1 (0.45) OPRK1NPC1L1OPRM1OPRD1OPRL1
SCHEMBL5780117 0.83 NPC1L1 (0.44) OPRK1NPC1L1OPRM1OPRD1OPRL1

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 CTSB 2017/4885CTSS 2893/4885CTSK 2604/4885

“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.