SCHEMBL6695685

SCHEMBL6695685

CN(C)c1ccc(C(=O)NC(Cc2ccc(Cl)c(Cl)c2)C(=O)NC23CCCC2OCC3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.45
CTSL P07711 10/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CCR3 P51677 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
KLKB1 P03952 1/20 0.35
PPARG P37231 1/20 0.35
MMP1 P03956 1/20 0.34
SSTR3 P32745 1/20 0.34
PDE7B Q9NP56 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
SCHEMBL6701120 0.91 CTSB (0.49) CTSBCTSLCTSSCTSKUTS2R
SCHEMBL6702836 0.91 CTSL (0.41) CTSBCTSLCYP2D6CYP2C9CCR3
SCHEMBL6699255 0.90 CTSL (0.40) CTSBCTSLCYP2D6CYP2C9CCR3
SCHEMBL6294795 0.89 CTSB (0.49) CTSBCTSLNPC1HPGDKMT2A
SCHEMBL6294822 0.89 CTSB (0.49) CTSBCTSLNPC1HPGDKMT2A
SCHEMBL6294295 0.88 CTSL (0.40) CTSLCYP2D6CYP2C9CCR3PPARG
SCHEMBL6294793 0.88 CTSB (0.45) CTSBCTSLNPC1HPGDKMT2A
SCHEMBL6991868 0.86 CTSL (0.39) CTSBCTSLCYP2D6CYP2C9KMT2A
SCHEMBL6701575 0.85 TRPV1 (0.44) CTSLCYP2D6CYP2C9KLKB1
SCHEMBL6700741 0.84 DRD2 (0.45) CTSBCTSLCYP2D6CYP2C9CTSS

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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 CTSB 33/4885CTSL 15/4885CYP2D6 4431/4885

“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.