SCHEMBL1421996

SCHEMBL1421996

O=C1CC(OC(=O)C2CCCCC2)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
APEX1 P27695 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
TP53 P04637 3/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP3K14 Q99558 1/20 0.33
CCR2 P41597 1/20 0.33
POLB P06746 3/20 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
SCHEMBL1884135 0.83 ALDH1A1 (0.34) KDM4EKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL1892476 0.83 ALDH1A1 (0.34) KDM4EL3MBTL1HPGD
SCHEMBL1892479 0.81 LMNA (0.36) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL7404275 0.80 MAP3K14 (0.33) KMT2ATDP1MEN1APEX1L3MBTL1
SCHEMBL4440353 0.79 TP53 (0.40) TP53HTTSMN1; SMN2POLB
SCHEMBL7404277 0.77 MAP3K14 (0.33) KDM4EHSD17B10KMT2ATDP1MEN1
SCHEMBL20595274 0.77 TP53 (0.38) TP53SMN1; SMN2POLB
SCHEMBL7264550 0.74 MAP3K14 (0.40) KMT2ATDP1MEN1APEX1L3MBTL1
SCHEMBL3949247 0.74 MAP3K14 (0.40) KDM4EKMT2ATDP1MEN1APEX1
SCHEMBL638696 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
EP-2019837-B1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-03-23 EP disclosed
EP-2019837-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2009-02-04 EP disclosed
WO-2007140117-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-12-06 WO disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 CHRM2 4077/4885CHRM4 3962/4885CHRM1 4088/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 CHRM2 4130/4885CHRM4 4018/4885CHRM1 4133/4885

“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.