SCHEMBL205663

SCHEMBL205663

COc1ccc(CN2CCN(C(=O)CCC(=O)NC3CCC(Cc4cccc(C)c4)(N(C)C)CC3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
ACKR3 P25106 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
TSHR P16473 1/20 0.41
CCR8 P51685 1/20 0.40
POLB P06746 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL205971 0.83 CXCR4 (0.46) MEN1KMT2ASIGMAR1ALDH1A1HTT
SCHEMBL206734 0.82 ALDH1A1 (0.41) MEN1KMT2ASIGMAR1ALDH1A1HTT
SCHEMBL207144 0.80 ADAMTS4 (0.47) MEN1KMT2ASIGMAR1POLB
SCHEMBL208523 0.80 SSTR1 (0.46) MEN1KMT2AALDH1A1POLB
SCHEMBL4072326 0.79 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1MCL1MCHR1
SCHEMBL205707 0.78 FAAH (0.49) MEN1KMT2AALDH1A1KDM4E
SCHEMBL204963 0.77 LMNA (0.48) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL207062 0.77 KMT2A (0.47) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL207058 0.77 SIGMAR1 (0.55) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL205785 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1

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 MEN1 713/4885KMT2A 3604/4885SIGMAR1 3262/4885

“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.