SCHEMBL4449568

SCHEMBL4449568

NC(=O)C12C(=O)COC1CCN2C(=O)[CH]Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.35
KMT2A Q03164 1/20 0.34
CCR3 P51677 3/20 0.33
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6803078 0.89 GAA (0.34)
SCHEMBL6803954 0.86 CHRM2 (0.30)
SCHEMBL4448472 0.86
SCHEMBL5092214 0.86
SCHEMBL7102347 0.86
SCHEMBL6803730 0.85 NPC1 (0.33) KMT2A
SCHEMBL4446611 0.85 F2 (0.32) KMT2A
SCHEMBL7101601 0.80 DPP4 (0.31)
SCHEMBL7101164 0.79 HCRTR1 (0.32)
SCHEMBL4446613 0.77 CYP2C19 (0.32)

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-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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 (2 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CCR2 1773/4885KMT2A 3948/4885CCR3 2572/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CCR2 1504/4885KMT2A 4101/4885CCR3 2046/4885

“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.