SCHEMBL206128

SCHEMBL206128

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCC(C)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
CCR2 P41597 3/20 0.37
P2RX7 Q99572 1/20 0.37
OPRM1 P35372 2/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35
CNR1 P21554 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL206578 0.85 ALDH1A1 (0.45) SSTR1SSTR4NR1H4HPGDKMT2A
SCHEMBL207581 0.83 POLB (0.46) SSTR1SSTR4NR1H4P2RX7THRB
SCHEMBL5158451 0.82 DHODH (0.35) SSTR1SSTR4NR1H4CCR2THRB
SCHEMBL206288 0.82 ALDH1A1 (0.50) THRBHPGDMEN1KMT2AEPHX2
SCHEMBL205392 0.81 HPGD (0.46) SSTR1SSTR4HPGDKMT2ACNR1
SCHEMBL4079658 0.80 SSTR4 (0.43) SSTR1SSTR4NR1H4OPRM1MEN1
SCHEMBL206814 0.80 TP53 (0.44) SSTR1SSTR4NR1H4HPGDMEN1
SCHEMBL205662 0.80 HDAC3 (0.40) SSTR1SSTR4NR1H4OPRM1THRB
SCHEMBL207062 0.80 KMT2A (0.47) SSTR1SSTR4MEN1KMT2ALMNA
SCHEMBL5470487 0.80 SIGMAR1 (0.41) OPRM1THRBHPGDMEN1KMT2A

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 SSTR1 2954/4885SSTR4 2688/4885NR1H4 917/4885

“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.