SCHEMBL207654

SCHEMBL207654

COc1cc(CN2CCN(C(=O)CCCC(=O)O)CC2)cc2c1OCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 5/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL3670354 0.76 CYP3A4 (0.68) LMNAMAPK1KMT2AMEN1TDP1
SCHEMBL21808857 0.76 MEN1 (0.66) LMNAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL13097845 0.76 KDM4E (0.70) MAPK1KMT2AMEN1TDP1ALDH1A1
SCHEMBL4079335 0.75 NPC1 (0.64) LMNAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL2734103 0.74 MEN1 (0.63) LMNAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL10605430 0.73 CYP3A4 (0.62) LMNAMAPK1KMT2AMEN1TDP1
SCHEMBL204963 0.73 LMNA (0.48) LMNAMAPK1KMT2AMEN1TDP1
SCHEMBL31493164 0.69 CYP3A4 (0.59) LMNAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL12315668 0.69 KMT2A (0.66) LMNAKMT2AMEN1TDP1HTT
SCHEMBL5743160 0.69 CYP3A4 (0.62) MAPK1KMT2AMEN1SMN1; SMN2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
JP-2007536323-A 2007-12-13 JP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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 1995/4885MAPK1 1332/4885KMT2A 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.