SCHEMBL4873124

SCHEMBL4873124

CN(C)C1(Cc2cccc(F)c2)CCC(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.55
CTSK P43235 4/20 0.55
SCN9A Q15858 9/20 0.52
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
CCKAR P32238 1/20 0.45
CCKBR P32239 1/20 0.45

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
SCHEMBL4868278 0.91 SCN9A (0.53) CTSSCTSKSCN9ACTSBCTSL
SCHEMBL4865061 0.91 SCN9A (0.49) CTSSCTSKSCN9ACTSBCTSL
SCHEMBL4868835 0.89 ALDH1A1 (0.50) CTSSCTSKCTSB
SCHEMBL4867952 0.87 CTSS (0.51) CTSSCTSKSCN9ACTSBCTSL
SCHEMBL4861770 0.87 SCN9A (0.50) CTSSCTSKSCN9ACTSBCTSL
SCHEMBL4868460 0.86 AVPR1A (0.50) CTSSCTSKSCN9ACTSBCTSL
SCHEMBL4867960 0.85 SCN9A (0.49) CTSSCTSKSCN9ACTSBCTSL
SCHEMBL4864055 0.84 SCN9A (0.49) CTSSCTSKSCN9ACTSBCTSL
SCHEMBL4871244 0.82 HRH2 (0.41) CTSSCTSKSCN9ACTSB
SCHEMBL4868324 0.81 CTSL (0.48) SCN9ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751090-B1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 US claimed
EP-1751090-A1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES Grünenthal GmbH (DE) 2007-02-14 EP claimed
WO-2005110973-A1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES Grünenthal GmbH (DE) 2005-11-24 WO claimed
EP-1751090-B1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES GRUENENTHAL GMBH (DE) 2014-10-08 EP disclosed
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 CTSS 1167/4885CTSK 1123/4885SCN9A 1111/4885

“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.