SCHEMBL205912

SCHEMBL205912

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TSHR P16473 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
SCHEMBL206456 0.95 POLB (0.45) HPGDALDH1A1KDM4EKMT2ARAB9A
SCHEMBL208660 0.91 PLAAT3 (0.46) RAB9ATP53TSHR
SCHEMBL208300 0.90 LMNA (0.50) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL207134 0.90 HPGD (0.43) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL208514 0.87 TSHR (0.43) ALDH1A1KDM4ETAAR1KMT2AMEN1
SCHEMBL4084112 0.86 HPGD (0.45) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4054571 0.86 ACKR3 (0.49) ALDH1A1KMT2AMEN1POLBMCHR1
SCHEMBL4075032 0.86 HPGD (0.40) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4072191 0.84 HPGD (0.38) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4084293 0.84 HDAC3 (0.42) HPGDALDH1A1KMT2AMEN1RAB9A

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 HPGD 96/4885ALDH1A1 158/4885KDM4E 462/4885

“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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