SCHEMBL8217484

SCHEMBL8217484

NC(=O)[C@H](CC(F)(F)Cc1ccccc1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.64
CTSS P25774 5/20 0.64
CTSK P43235 5/20 0.64
OPRL1 P41146 8/20 0.39
HRH3 Q9Y5N1 3/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CALCRL Q16602 1/20 0.37
OPRM1 P35372 1/20 0.37
POLB P06746 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
SCHEMBL8223759 0.90 CTSB (0.54) CTSBCTSSCTSKHRH3ALDH1A1
SCHEMBL8218593 0.89 CTSB (0.70) CTSBCTSSCTSKOPRL1HRH3
SCHEMBL8224238 0.88 CTSB (0.51) CTSBCTSSCTSKOPRL1HRH3
SCHEMBL347518 0.86 CTSS (0.70) CTSBCTSSCTSKOPRL1
SCHEMBL12237384 0.86 CTSB (0.66) CTSBCTSSCTSKOPRL1HRH3
SCHEMBL347010 0.85 CTSB (0.89) CTSBCTSSCTSK
SCHEMBL347517 0.85 CTSB (0.64) CTSBCTSSCTSKOPRL1GAA
SCHEMBL8223886 0.84 CTSB (0.53) CTSBCTSSCTSKHRH3CYP2D6
SCHEMBL8226527 0.83 CTSB (0.79) CTSBCTSSCTSKOPRL1HRH3
SCHEMBL8223388 0.82 CTSB (0.70) CTSBCTSSCTSKGAACALCRL

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
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSB 31/4885CTSS 24/4885CTSK 87/4885

“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.