SCHEMBL206111

SCHEMBL206111

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCc3cccc(C)c3C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.41
SSTR1 P30872 1/20 0.41
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL206814 0.88 TP53 (0.44) SSTR4SSTR1KMT2AMEN1NR1H4
SCHEMBL207298 0.88 ALDH1A1 (0.41) SSTR4SSTR1ALDH1A1KMT2AMEN1
SCHEMBL207619 0.87 SIGMAR1 (0.44) SSTR4SSTR1P2RX7KMT2AMEN1
SCHEMBL207459 0.86 P2RX7 (0.40) SSTR4SSTR1ALDH1A1P2RX7KMT2A
SCHEMBL207315 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AOPRM1OPRL1
SCHEMBL5157795 0.84 HPGD (0.39) ALDH1A1KMT2AMEN1
SCHEMBL206643 0.84 SSTR4 (0.43) SSTR4SSTR1KMT2AMEN1NR1H4
SCHEMBL207581 0.84 POLB (0.46) SSTR4SSTR1P2RX7KMT2ANR1H4
SCHEMBL207324 0.84 CYP3A4 (0.40) SSTR4SSTR1ALDH1A1P2RX7
SCHEMBL208817 0.83 NPC1 (0.47) SSTR4SSTR1ALDH1A1KMT2AMEN1

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 SSTR4 2688/4885SSTR1 2954/4885ALDH1A1 158/4885

“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.