SCHEMBL206665

SCHEMBL206665

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NC3Cc4ccccc4C3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.45
SSTR1 P30872 1/20 0.45
MAPT P10636 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GRM7 Q14831 1/20 0.40
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL206084 0.89 EPHX2 (0.47) SSTR4SSTR1MAPTMTNR1AMTNR1B
SCHEMBL4052851 0.87 KMT2A (0.48) SSTR4SSTR1OPRM1OPRL1NPC1
SCHEMBL205814 0.87 LMNA (0.44) SSTR4SSTR1MAPTLMNAKMT2A
SCHEMBL5157976 0.86 SSTR4 (0.45) SSTR4SSTR1OPRM1OPRL1NPC1
SCHEMBL206736 0.85 HPGD (0.48) SSTR4SSTR1OPRM1OPRL1NPC1
SCHEMBL206157 0.85 NPC1 (0.46) SSTR4SSTR1OPRM1OPRL1NPC1
SCHEMBL207557 0.85 LMNA (0.52) MAPTLMNAKMT2AMEN1TSHR
SCHEMBL4079658 0.84 SSTR4 (0.43) SSTR4SSTR1OPRM1OPRL1NPC1
SCHEMBL4075132 0.83 SSTR4 (0.43) SSTR4SSTR1OPRM1OPRL1KMT2A
SCHEMBL2987319 0.83 MEN1 (0.47) SSTR4SSTR1OPRM1OPRL1KMT2A

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 SSTR4 2688/4885SSTR1 2954/4885MAPT 1103/4885

“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.