SCHEMBL5799154

SCHEMBL5799154

CCOc1cccc(OCC)c1C(=O)NC(CNC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 12/20 0.49
OPRK1 P41145 5/20 0.48
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PLD2 O14939 7/20 0.46
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRL1 P41146 2/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CALCRL Q16602 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
SCHEMBL5784756 0.92 PLD1 (0.52) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL5779538 0.88 OPRK1 (0.51) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL5782643 0.87 OPRK1 (0.52) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL5780094 0.85 CTSB (0.58) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL5781119 0.85 PLD1 (0.50) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL6481466 0.81 CTSB (0.57) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL5782996 0.79 CTSB (0.53) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL5782410 0.78 OPRL1 (0.47) OPRK1OPRM1OPRD1OPRL1
SCHEMBL5783375 0.78 CTSB (0.50) PLD1OPRK1CTSBCTSSCTSK
SCHEMBL6812370 0.78 PLD1 (0.47) PLD1OPRK1CTSBCTSSCTSK

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 PLD1 4061/4885OPRK1 1419/4885CTSB 2017/4885

“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.