SCHEMBL206832

SCHEMBL206832

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CYP3A4 P08684 1/20 0.38
KDM1A O60341 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 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
SCHEMBL4081367 0.90 EPHX2 (0.35) EPHX2KMT2AMEN1CYP2C19SMN1; SMN2
SCHEMBL4084407 0.87 L3MBTL1 (0.40) EPHX2KMT2AMEN1ALDH1A1
SCHEMBL4085357 0.84 L3MBTL1 (0.38) KMT2AMEN1CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL206771 0.83 AR (0.46)
SCHEMBL208978 0.82 RAB9A (0.48) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL209123 0.82 GFER (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL207812 0.81 MAPT (0.48) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL205977 0.81 L3MBTL1 (0.39) EPHX2KMT2AMEN1CYP2C19SMN1; SMN2
SCHEMBL205941 0.81 MEN1 (0.42) KMT2AMEN1CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL206085 0.81 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2TP53ALDH1A1

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 5 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
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 EPHX2 1203/4885KMT2A 3604/4885MEN1 713/4885

“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.