SCHEMBL4052437

SCHEMBL4052437

CC(C(=O)NC1CCC(Cc2cccc(Cl)c2)(N(C)C)CC1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.43
GLI2 P10070 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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 0.93 GLI1 (0.47) GLI1GLI2MAPTALDH1A1HTT
SCHEMBL4054220 0.90 MAPT (0.47) GLI1GLI2MAPTALDH1A1HTT
SCHEMBL4048934 0.88 MAPT (0.53) GLI1GLI2MAPTALDH1A1HTT
SCHEMBL16143535 0.85 GLI1 (0.50) GLI1GLI2MAPTALDH1A1HTT
SCHEMBL4052030 0.84 HTT (0.50) GLI1GLI2MAPTALDH1A1HTT
SCHEMBL4053803 0.83 MAPT (0.42) GLI1GLI2MAPTALDH1A1HTT
SCHEMBL16143720 0.82 SIGMAR1 (0.44) HPGD
SCHEMBL2984800 0.80 ALDH1A1 (0.48) MAPTALDH1A1
SCHEMBL2978570 0.78 EPHX2 (0.42) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL205753 0.78 SIGMAR1 (0.45) KDM4EHPGD

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.