SCHEMBL4871937

SCHEMBL4871937

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC1CCC(Cc2ccccc2)(N2CCCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.52
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ACE P12821 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CCKAR P32238 2/20 0.47
CCKBR P32239 2/20 0.47
AKT1 P31749 1/20 0.47

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
SCHEMBL4871841 0.93 L3MBTL1 (0.47) SCN9ACTSLL3MBTL1ACE
SCHEMBL4873372 0.89 HDAC4 (0.44) SCN9ACTSSCTSKACE
SCHEMBL4864001 0.88 SCN9A (0.52) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL4868278 0.83 SCN9A (0.53) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL3054407 0.81 SCN9A (0.64) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL3957208 0.80 SCN9A (0.58) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL4867141 0.79 SCN9A (0.51) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL7274495 0.79 CTSS (0.60) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL4861770 0.79 SCN9A (0.50) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL4868037 0.79 HRH2 (0.46) SCN9ACTSLL3MBTL1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US claimed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 US claimed
US-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US disclosed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 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-20070117803-A1 Cyclohexyl-1,4-diamine compounds PKD1, DDC, DPYD SCN9A 1111/4885CTSS 1167/4885CTSL 2008/4885

“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.