Phenethylamine

Phenethylamine

SCHEMBL206732

CN(C)C1(Cc2ccccc2)CCC(NC(=O)CCCC(=O)O)CC1.NCCc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
EPHX1 P07099 1/20 0.49
OPRM1 P35372 4/20 0.46
OPRL1 P41146 4/20 0.46
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KCNA3 P22001 1/20 0.40
SMYD3 Q9H7B4 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
SCHEMBL4072325 0.92 OPRM1 (0.52) EPHX2EPHX1OPRM1OPRL1SIGMAR1
SCHEMBL206079 0.90 OPRM1 (0.54) EPHX2EPHX1OPRM1OPRL1SIGMAR1
SCHEMBL206731 0.86 HDAC3 (0.51) EPHX2EPHX1OPRM1OPRL1LMNA
SCHEMBL209001 0.86 OPRM1 (0.43) EPHX2EPHX1OPRM1OPRL1SMYD3
SCHEMBL250598 0.85 OPRM1 (0.43) EPHX2EPHX1OPRM1OPRL1
SCHEMBL2985381 0.84 OPRM1 (0.48) EPHX2EPHX1OPRM1OPRL1KCNA3
SCHEMBL207196 0.83 OPRM1 (0.46) EPHX2EPHX1OPRM1OPRL1LMNA
SCHEMBL250049 0.81 OPRM1 (0.42) EPHX2EPHX1OPRM1OPRL1
SCHEMBL2987110 0.81 MEN1 (0.51) EPHX2EPHX1OPRM1OPRL1
SCHEMBL209000 0.79 GAA (0.47) EPHX2EPHX1OPRM1OPRL1

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 5 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
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 EPHX2 1203/4885EPHX1 935/4885OPRM1 3175/4885

“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.