SCHEMBL207753

SCHEMBL207753

CN(C)C1(c2ccccc2)CCC(NC(=O)CCC(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
OPRL1 P41146 4/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SIGMAR1 Q99720 4/20 0.45
POLB P06746 1/20 0.45
ALOX5 P09917 3/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL206135 0.79 OPRM1 (0.62) OPRM1OPRL1MEN1KMT2A
SCHEMBL206307 0.75 OPRM1 (0.52) OPRM1OPRL1SIGMAR1
SCHEMBL208418 0.72 OPRM1 (0.60) OPRM1OPRL1MEN1KMT2A
SCHEMBL4072326 0.71 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1
SCHEMBL206057 0.70 OPRM1 (0.57) OPRM1OPRL1MEN1KMT2ASIGMAR1
SCHEMBL9988352 0.70 MEN1 (0.59) MEN1KMT2APOLBALOX5PTGS1
SCHEMBL4047610 0.70 OPRL1 (0.62) OPRM1OPRL1KMT2A
SCHEMBL206791 0.70 OPRM1 (0.62) OPRM1OPRL1
SCHEMBL4850386 0.69 OPRL1 (0.74) OPRM1OPRL1
SCHEMBL4085357 0.69 L3MBTL1 (0.38) OPRM1OPRL1MEN1KMT2APOLB

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 OPRM1 3175/4885OPRL1 2751/4885MEN1 713/4885

“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.