SCHEMBL5950640

SCHEMBL5950640

CC(=O)N1CCC[C@H]1C(=O)NC(CNC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PLD1 Q13393 6/20 0.46
PLD2 O14939 2/20 0.46
CALCRL Q16602 1/20 0.46
SLC18A3 Q16572 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRL1 P41146 1/20 0.44
SLC6A9 P48067 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
SCHEMBL5950573 0.98 OPRK1 (0.47) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5950194 0.94 OPRK1 (0.46) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5950642 0.92 OPRK1 (0.46) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL6632646 0.85 PLD2 (0.46) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5780094 0.85 CTSB (0.58) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5950215 0.84 OPRK1 (0.53) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5950574 0.82 ITGB1 (0.49) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5780364 0.81 OPRK1 (0.49) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5779538 0.79 OPRK1 (0.51) OPRK1CTSBCTSSCTSKPLD1
SCHEMBL5950196 0.79 OPRK1 (0.51) OPRK1CTSBCTSSCTSKPLD1

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 OPRK1 2459/4885CTSB 2883/4885CTSS 3255/4885

“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.