SCHEMBL205873

SCHEMBL205873

CCC(NC(=O)CCC(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HPGD P15428 1/20 0.38
PPARG P37231 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37

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
SCHEMBL206577 0.90 SIGMAR1 (0.43) UTS2RNPC1OPRM1OPRL1SIGMAR1
SCHEMBL4079453 0.84 LMNA (0.43) LMNAOPRM1OPRL1SIGMAR1HPGD
SCHEMBL206071 0.83 CNR1 (0.52) LMNAOPRM1OPRL1SIGMAR1KMT2A
SCHEMBL206809 0.83 KMT2A (0.46) UTS2RLMNAOPRM1OPRL1SIGMAR1
SCHEMBL206987 0.82 POLB (0.56) LMNAOPRM1OPRL1KMT2AHPGD
SCHEMBL4056032 0.81 CCR2 (0.46) LMNAOPRM1OPRL1SIGMAR1KMT2A
SCHEMBL207560 0.80 POLB (0.41) LMNAKMT2AHPGDPOLB
SCHEMBL205753 0.80 SIGMAR1 (0.45) OPRM1OPRL1SIGMAR1HPGD
SCHEMBL4054992 0.79 CCR2 (0.59) LMNAOPRM1OPRL1SIGMAR1KMT2A
SCHEMBL209932 0.79 AVPR1A (0.44) LMNAKMT2A

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 UTS2R 2940/4885NPC1 46/4885LMNA 1995/4885

“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.