SCHEMBL10201650

SCHEMBL10201650

O=C(NN1CCC(=O)N2CCC[C@@H](C(=O)O)N2C1=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41
MME P08473 1/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.39
CASP1 P29466 1/20 0.37
OPRD1 P41143 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
CHRM3 P20309 2/20 0.36
CASP3 P42574 1/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL645962 0.82 ACE (0.57) ACEMMECASP1
SCHEMBL13139910 0.82 ACE (0.57) ACEMMECASP1
SCHEMBL645612 0.82 ACE (0.57) ACEMMECASP1
SCHEMBL30310895 0.78 KMT2A (0.47) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL15545732 0.78 KMT2A (0.47) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL10284940 0.77 ACE (0.46) ACEMMECASP1
SCHEMBL10248630 0.75 ACE (0.47) ACEMMEKMT2ACASP1
SCHEMBL13139868 0.75 ACE (0.50) ACEMMECASP1
SCHEMBL12994873 0.74 CASP1 (0.51) ACEMMECASP1CASP3
SCHEMBL119560 0.71 ALDH1A1 (0.58) ACEKMT2AFABP7FABP5

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ACE 16/4885MME 279/4885KMT2A 4308/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ACE 19/4885MME 327/4885KMT2A 4353/4885

“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.