SCHEMBL4075831

SCHEMBL4075831

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
LMNA P02545 3/20 0.56
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.51
TPSAB1 Q15661 1/20 0.50
EGFR P00533 1/20 0.49
NOS2 P35228 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL4075832 0.94 GAA (0.64) GAALMNAFFAR1FFAR4MEN1
SCHEMBL9208372 0.82 GAA (0.89) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4079697 0.82 SMN1; SMN2 (0.75) GAALMNAMEN1KMT2ANPC1
SCHEMBL17372432 0.82 NPC1 (0.57) GAALMNAFFAR1FFAR4MEN1
SCHEMBL24499495 0.80 NPC1 (0.61) LMNAFFAR1FFAR4NPC1MAPT
SCHEMBL6290205 0.80 NPC1 (0.61) LMNAFFAR1FFAR4NPC1MAPT
SCHEMBL6290206 0.80 NPC1 (0.61) LMNAFFAR1FFAR4NPC1MAPT
SCHEMBL13206791 0.79 TPSAB1 (0.62) GAAMEN1KMT2ATSHRTPSAB1
SCHEMBL13206789 0.79 TPSAB1 (0.62) GAAMEN1KMT2ATSHRTPSAB1
SCHEMBL1750050 0.79 CYP1A2 (0.58) LMNAFFAR1FFAR4KMT2ANPC1

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 3 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
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD GAA 20/4885LMNA 1995/4885FFAR1 3233/4885

“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.