SCHEMBL4075832

SCHEMBL4075832

O=C(CCCC(=O)NCc1cccc(Br)c1)NCc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TPSAB1 Q15661 1/20 0.56
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.52
EPHX2 P34913 2/20 0.51
ALOX5 P09917 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
MTOR P42345 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50

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
SCHEMBL4075831 0.94 GAA (0.61) GAALMNANPC1MEN1KMT2A
SCHEMBL17372432 0.87 NPC1 (0.57) GAALMNANPC1MEN1KMT2A
SCHEMBL6290206 0.85 NPC1 (0.61) LMNANPC1MAPTALOX5MTOR
SCHEMBL6290205 0.85 NPC1 (0.61) LMNANPC1MAPTALOX5MTOR
SCHEMBL24499495 0.85 NPC1 (0.61) LMNANPC1MAPTALOX5MTOR
SCHEMBL30259901 0.83 NPC1 (0.59) GAALMNANPC1MAPTALOX5
SCHEMBL17570500 0.83 AOC3 (0.65) LMNANPC1TPSAB1MAPTALOX5
SCHEMBL17785699 0.83 LMNA (0.55) LMNANPC1MAPTEPHX2ALOX5
SCHEMBL4075834 0.82 LMNA (0.46) GAALMNANPC1MEN1KMT2A
SCHEMBL1750050 0.81 CYP1A2 (0.58) LMNANPC1KMT2AMAPTALOX5

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
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US 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 GAA 20/4885LMNA 1995/4885NPC1 46/4885

“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.