Sugi Predict

Sugi Predict / Compounds / SCHEMBL205964

SCHEMBL205964

SCHEMBL205964

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NC(C)c3cccc4ccccc34)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.43
▸ METAP1 P53582 2/20 0.43
▸ DRD4 P21917 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.39
▸ SSTR1 P30872 1/20 0.39
▸ SSTR4 P31391 1/20 0.39

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
SCHEMBL206306 0.91 METAP2 (0.42) METAP2METAP1DRD4LMNAGAA
SCHEMBL5159684 0.89 METAP2 (0.37) METAP2METAP1DRD4LMNAEPHX2
SCHEMBL206981 0.86 DRD4 (0.41) METAP2METAP1DRD4SSTR1SSTR4
SCHEMBL4079658 0.84 SSTR4 (0.43) SSTR1SSTR4
SCHEMBL207190 0.83 ALDH1A1 (0.43) SSTR1SSTR4
SCHEMBL206824 0.82 L3MBTL1 (0.47) GAASSTR1SSTR4
SCHEMBL4081082 0.80 L3MBTL1 (0.41) SSTR1SSTR4
SCHEMBL206665 0.80 SSTR4 (0.45) LMNASSTR1SSTR4
SCHEMBL4052851 0.79 KMT2A (0.48) LMNASSTR1SSTR4
SCHEMBL5157976 0.78 SSTR4 (0.45) SSTR1SSTR4

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
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
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 — — EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 — — WO 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 METAP2 2773/4885METAP1 1476/4885DRD4 1574/4885

“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.