SCHEMBL4048934

SCHEMBL4048934

Cc1ccc(CC2(N(C)C)CCC(NC(=O)C(C)c3cccc(C(=O)c4ccccc4)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.47
GLI1 P08151 3/20 0.46
GLI2 P10070 3/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL4046081 0.94 GLI1 (0.47) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL4054220 0.92 MAPT (0.47) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL4052437 0.88 GLI1 (0.43) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL4052030 0.87 HTT (0.50) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL16143535 0.85 GLI1 (0.50) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL4053803 0.85 MAPT (0.42) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL16143740 0.81 ALDH1A1 (0.43) HTTALDH1A1SMN1; SMN2
SCHEMBL4054566 0.78 GLI1 (0.44) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL2982852 0.77 TSHR (0.50) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL1821310 0.77 MAPT (0.58) MAPTHTTALDH1A1LMNAMEN1

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-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US claimed
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP disclosed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 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-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC MAPT 1481/4885HTT 561/4885ALDH1A1 264/4885

“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.