SCHEMBL4054566

SCHEMBL4054566

CC(C(=O)NC1CCC(Cc2ccccc2)(N2CCCC2)CC1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.44
GLI2 P10070 1/20 0.44
MAPT P10636 5/20 0.43
PTGS2 P35354 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PTGS1 P23219 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
CYP3A4 P08684 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCL8 P10145 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
SCHEMBL4054687 0.83 MAPT (0.45) GLI1GLI2MAPTPTGS2SMN1; SMN2
SCHEMBL4046081 0.83 GLI1 (0.47) GLI1GLI2MAPTPTGS2SMN1; SMN2
SCHEMBL16143727 0.80 EPHX2 (0.42)
SCHEMBL1821310 0.79 MAPT (0.58) MAPTPTGS2SMN1; SMN2ALDH1A1PTGS1
SCHEMBL4048934 0.78 MAPT (0.53) GLI1GLI2MAPTPTGS2SMN1; SMN2
SCHEMBL16143535 0.78 GLI1 (0.50) GLI1GLI2MAPTPTGS2SMN1; SMN2
SCHEMBL4054220 0.78 MAPT (0.47) GLI1GLI2MAPTPTGS2SMN1; SMN2
SCHEMBL2982591 0.77 TSHR (0.50) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL4052437 0.77 GLI1 (0.43) GLI1GLI2MAPTPTGS2SMN1; SMN2
SCHEMBL2989191 0.76 TSHR (0.49) MAPTSMN1; SMN2ALDH1A1HTTHPGD

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 GLI1 3342/4885GLI2 4349/4885MAPT 1481/4885

“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.