SCHEMBL207557

SCHEMBL207557

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NC3CCCc4ccccc43)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
DHODH Q02127 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
EPHX1 P07099 1/20 0.46
MAPT P10636 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
SCHEMBL205814 0.95 LMNA (0.44) LMNADHODHATMMEN1KMT2A
SCHEMBL205940 0.90 DHODH (0.55) DHODHATMMEN1KMT2AALDH1A1
SCHEMBL207060 0.90 DHODH (0.56) LMNADHODHATMMEN1KMT2A
SCHEMBL206665 0.85 SSTR4 (0.45) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL206834 0.85 DHODH (0.48) DHODHMEN1KMT2AALDH1A1HPGD
SCHEMBL4083007 0.82 DHODH (0.45) DHODHMEN1KMT2AALDH1A1HPGD
SCHEMBL4052851 0.81 KMT2A (0.48) LMNAMEN1KMT2AALDH1A1
SCHEMBL207293 0.80 DHODH (0.48) LMNADHODHMEN1KMT2AALDH1A1
SCHEMBL5157976 0.80 SSTR4 (0.45) MEN1KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL206157 0.79 NPC1 (0.46) MEN1KMT2AHTTTSHR

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 1995/4885DHODH 13/4885ATM 4558/4885

“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.