SCHEMBL207293

SCHEMBL207293

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCC(=O)NC2CCc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.42
TAOK3 Q9H2K8 1/20 0.42
GRM7 Q14831 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
LMNA P02545 2/20 0.41
TAS1R2 Q8TE23 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4083007 0.94 DHODH (0.45) DHODHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL206834 0.90 DHODH (0.48) DHODHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL207060 0.86 DHODH (0.56) DHODHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL205814 0.85 LMNA (0.44) DHODHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL205940 0.85 DHODH (0.55) DHODHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL206987 0.83 POLB (0.56) MEN1KMT2ALMNATSHRPOLB
SCHEMBL5160034 0.81 DHODH (0.40) DHODHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL207557 0.80 LMNA (0.52) DHODHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4056032 0.79 CCR2 (0.46) MEN1KMT2ALMNA
SCHEMBL4054992 0.78 CCR2 (0.59) MEN1KMT2ALMNAPOLB

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
US-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US claimed
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-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US disclosed
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

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 DHODH 13/4885ALDH1A1 158/4885SMN1; SMN2 1061/4885

“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.