SCHEMBL4075176

SCHEMBL4075176

CCN(Cc1ccccc1)C(=O)CCCC(=O)N(CC)Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.75
TSHR P16473 2/20 0.75
MAPK1 P28482 2/20 0.75
NPC1 O15118 2/20 0.75
ALOX15 P16050 1/20 0.75
HSD17B10 Q99714 1/20 0.75
ALDH1A1 P00352 3/20 0.66
RAB9A P51151 2/20 0.62
TSPO P30536 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.56
ALOX5 P09917 2/20 0.56
LTB4R2 Q9NPC1 1/20 0.55
MGLL Q99685 1/20 0.53
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4075172 0.95 LMNA (0.69) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL14382148 0.93 LMNA (0.71) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL28217434 0.90 LMNA (0.68) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL4330338 0.86 LTB4R2 (0.70) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL7129964 0.85 ALOX5 (0.66) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL4835968 0.85 LMNA (0.69) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL4398063 0.84 LTB4R2 (0.64) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL19302002 0.84 ALOX5 (0.62) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL9844474 0.84 MAPK1 (0.60) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL3456186 0.84 LMNA (0.68) LMNATSHRMAPK1NPC1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
JP-2007536323-A 2007-12-13 JP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD LMNA 1995/4885TSHR 4464/4885MAPK1 1332/4885

“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.