SCHEMBL206643

SCHEMBL206643

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCc3cccc(Br)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.43
SSTR1 P30872 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
LMNA P02545 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 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
SCHEMBL206685 0.90 EPHX2 (0.43) SSTR4SSTR1KMT2ACYP2C9CYP2C19
SCHEMBL207581 0.89 POLB (0.46) SSTR4SSTR1KMT2ACYP2C9CYP2C19
SCHEMBL206533 0.88 CYP2C9 (0.42) KMT2ACYP2C9CYP2C19SIGMAR1LMNA
SCHEMBL207324 0.88 CYP3A4 (0.40) SSTR4SSTR1CYP2C9CYP2C19
SCHEMBL208817 0.85 NPC1 (0.47) SSTR4SSTR1KMT2ACYP2C9CYP2C19
SCHEMBL206111 0.84 SSTR4 (0.41) SSTR4SSTR1KMT2ANR1H4MEN1
SCHEMBL206814 0.84 TP53 (0.44) SSTR4SSTR1KMT2ASIGMAR1LMNA
SCHEMBL207298 0.84 ALDH1A1 (0.41) SSTR4SSTR1KMT2ASIGMAR1NPC1
SCHEMBL206736 0.83 HPGD (0.48) SSTR4SSTR1KMT2ALMNANPC1
SCHEMBL207459 0.83 P2RX7 (0.40) SSTR4SSTR1KMT2ASIGMAR1NR1H4

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 SSTR4 2688/4885SSTR1 2954/4885KMT2A 3604/4885

“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.