SCHEMBL205784

SCHEMBL205784

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CC=C(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MCHR1 Q99705 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ADAM10 O14672 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL207488 0.91 MEN1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL206590 0.90 MEN1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5158010 0.86 OPRM1 (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL205169 0.85 SIGMAR1 (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4084407 0.84 L3MBTL1 (0.40) MEN1KMT2AALDH1A1OPRM1OPRL1
SCHEMBL205977 0.83 L3MBTL1 (0.39) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL206771 0.80 AR (0.46) MAPTTSHRRAB9A
SCHEMBL5158048 0.79 NAMPT (0.38) MEN1KMT2AMAPTALDH1A1NAMPT
SCHEMBL4048631 0.79 KMT2A (0.51) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL207366 0.78 KDM4E (0.55) MEN1KMT2AMAPTKDM4EALDH1A1

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 MEN1 713/4885KMT2A 3604/4885MAPT 1103/4885

“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.

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