SCHEMBL206704

SCHEMBL206704

CCOC(=O)CCNC(=O)CCC(=O)NC1CCC(Cc2ccc(C)cc2)(N(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4075032 0.88 HPGD (0.40) HPGDRAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL206456 0.87 POLB (0.45) HPGDRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL5162372 0.84 RAB9A (0.43) HPGDRAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL4084293 0.84 HDAC3 (0.42) HPGDRAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL208660 0.83 PLAAT3 (0.46) RAB9ASMN1; SMN2TP53
SCHEMBL4072191 0.82 HPGD (0.38) HPGDRAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL205912 0.82 HPGD (0.47) HPGDRAB9AKMT2AMEN1ALDH1A1
SCHEMBL208300 0.82 LMNA (0.50) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL4080673 0.81 HPGD (0.35) HPGDRAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL2976452 0.81 MEN1 (0.46) SMYD3HPGDRAB9ASMN1; SMN2KMT2A

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 8 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
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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 SMYD3 3967/4885HPGD 96/4885RAB9A 587/4885

“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.