SCHEMBL345707

SCHEMBL345707

CN(C#N)C(=O)[C@H](CC(F)(F)Cc1cccnc1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 15/20 0.54
CTSS P25774 15/20 0.54
CTSK P43235 15/20 0.54
CYP3A4 P08684 1/20 0.34
VNN1 O95497 1/20 0.34
BTD P43251 1/20 0.34
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL347517 0.92 CTSB (0.64) CTSBCTSSCTSK
SCHEMBL347111 0.88 CTSB (0.56) CTSBCTSSCTSKCYP3A4
SCHEMBL345708 0.87 CTSB (0.61) CTSBCTSSCTSK
SCHEMBL8223759 0.86 CTSB (0.54) CTSBCTSSCTSKCYP3A4VNN1
SCHEMBL347367 0.85 CTSB (0.75) CTSBCTSSCTSK
SCHEMBL345973 0.85 CTSB (0.53) CTSBCTSSCTSK
SCHEMBL12236966 0.84 CTSB (0.57) CTSBCTSSCTSK
SCHEMBL347222 0.82 CTSB (0.58) CTSBCTSSCTSK
SCHEMBL347518 0.79 CTSS (0.70) CTSBCTSSCTSK
SCHEMBL347248 0.78 CTSS (0.69) CTSBCTSSCTSK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US 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 (3 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSB 31/4885CTSS 24/4885CTSK 87/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSB 31/4885CTSS 24/4885CTSK 87/4885
US-20140073662-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.