SCHEMBL14432004

SCHEMBL14432004

CC(C)(C)OC(=O)CC(CC#N)C1CCNC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5459590 0.77 CTSK (0.45) CTSSCTSK
SCHEMBL14431997 0.77 CTSK (0.45) CTSSCTSK
SCHEMBL5470913 0.75 CTSS (0.32) CTSSCTSK
SCHEMBL6630069 0.72 CYP2D6 (0.38)
SCHEMBL22123285 0.71 DPP4 (0.36)
SCHEMBL9089615 0.69 CCR8 (0.32)
SCHEMBL71534 0.69 CPN1 (0.30)
SCHEMBL27622105 0.69 CPN1 (0.41) MAPTKMT2A
SCHEMBL6157182 0.68 CYP2D6 (0.41) CTSSCTSK
SCHEMBL16405298 0.68 CYP2D6 (0.41) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 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 (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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL CTSS 687/4885CTSK 490/4885MEN1 2732/4885

“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.