SCHEMBL208300

SCHEMBL208300

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 5/20 0.49
EPHX1 P07099 1/20 0.46
TP53 P04637 1/20 0.45
CNR1 P21554 1/20 0.44
FPR3 P25089 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL206456 0.95 POLB (0.45) LMNAPOLBKMT2ATP53NPC1
SCHEMBL208660 0.91 PLAAT3 (0.46) EPHX1TP53NPC1RAB9ATSHR
SCHEMBL205912 0.90 HPGD (0.47) LMNAPOLBKMT2ATP53MEN1
SCHEMBL206578 0.90 ALDH1A1 (0.45) LMNAPOLBKMT2AEPHX1TP53
SCHEMBL206988 0.88 ALDH1A1 (0.51) LMNAKMT2AEPHX1CNR1MEN1
Hydrochloric Acid SCHEMBL206061 0.87 ALDH1A1 (0.50) LMNAKMT2AEPHX1CNR1MEN1
SCHEMBL206738 0.87 TSHR (0.46) LMNAPOLBKMT2ATP53TSHR
SCHEMBL4084112 0.86 HPGD (0.45) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL4049886 0.86 MAPT (0.45) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL4075032 0.86 HPGD (0.40) KMT2AMEN1RAB9AALDH1A1

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 LMNA 1995/4885POLB 1568/4885KMT2A 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.