SCHEMBL206071

SCHEMBL206071

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCC(=O)NCCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
CNR2 P34972 2/20 0.52
CASR P41180 1/20 0.42
CCR2 P41597 3/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
CCR5 P51681 1/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX1 P07099 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL206987 0.84 POLB (0.56) OPRM1OPRL1HPGDPOLBLMNA
SCHEMBL205873 0.83 UTS2R (0.43) OPRM1OPRL1HPGDPOLBLMNA
SCHEMBL5470487 0.83 SIGMAR1 (0.41) OPRM1OPRL1CCR5HPGDSIGMAR1
SCHEMBL208300 0.82 LMNA (0.50) CNR1POLBLMNAKMT2ARAB9A
SCHEMBL206304 0.82 CNR1 (0.44) CNR1OPRM1LMNASIGMAR1KMT2A
SCHEMBL206154 0.81 TSHR (0.46) CNR1HPGDPOLBLMNAKMT2A
SCHEMBL206809 0.81 KMT2A (0.46) OPRM1OPRL1LMNASIGMAR1KMT2A
SCHEMBL4056032 0.81 CCR2 (0.46) CCR2OPRM1OPRL1LMNASIGMAR1
SCHEMBL206789 0.80 NPC1 (0.45) OPRM1OPRL1HPGDPOLBLMNA
SCHEMBL4079453 0.80 LMNA (0.43) OPRM1OPRL1HPGDPOLBLMNA

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 CNR1 737/4885CNR2 1009/4885CASR 4685/4885

“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.