SCHEMBL210046

SCHEMBL210046

CN(C)C1(c2cccs2)CCC(NC(=O)CCC(=O)NCCOc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.46
OPRL1 P41146 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 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
SCHEMBL206971 0.93 MAPT (0.49) OPRM1OPRL1KMT2AHPGDMEN1
SCHEMBL207464 0.85 EPHX2 (0.45) OPRM1OPRL1SMN1; SMN2HPGDEPHX2
SCHEMBL2991003 0.85 OPRM1 (0.50) OPRM1OPRL1SMN1; SMN2KMT2AHPGD
SCHEMBL206898 0.84 OPRM1 (0.60) OPRM1OPRL1NPC1EPHX2
SCHEMBL5161128 0.84 OPRM1 (0.52) OPRM1OPRL1SMN1; SMN2KMT2AMEN1
SCHEMBL208376 0.82 OPRM1 (0.44) OPRM1OPRL1KMT2AHPGDMEN1
SCHEMBL208543 0.82 OPRM1 (0.45) OPRM1OPRL1SMN1; SMN2KMT2AMEN1
SCHEMBL207397 0.82 OPRM1 (0.56) OPRM1OPRL1KMT2AHPGDMEN1
SCHEMBL206077 0.81 OPRM1 (0.48) OPRM1OPRL1SMN1; SMN2KMT2AHPGD
SCHEMBL205762 0.81 OPRM1 (0.46) OPRM1OPRL1SMN1; SMN2KMT2AMEN1

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 OPRM1 3175/4885OPRL1 2751/4885SMN1; 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.