SCHEMBL209932

SCHEMBL209932

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NC(Cc3ccc(Cl)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.44
OXTR P30559 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 2/20 0.40
CCKBR P32239 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 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
SCHEMBL4076358 0.92 AVPR1A (0.43) AVPR1AOXTRKMT2A
SCHEMBL208694 0.89 AVPR1A (0.41) AVPR1AOXTRLMNA
SCHEMBL4079453 0.85 LMNA (0.43) AVPR1AOXTRLMNA
SCHEMBL4084189 0.84 HRH3 (0.40) KMT2AMEN1
SCHEMBL4049886 0.83 MAPT (0.45) KMT2AMEN1LMNA
SCHEMBL208300 0.81 LMNA (0.50) KMT2AMEN1LMNA
SCHEMBL206987 0.81 POLB (0.56) KMT2AEPHX2MEN1LMNA
SCHEMBL206402 0.81 ALDH1A1 (0.41) KMT2AMEN1
SCHEMBL207560 0.80 POLB (0.41) AVPR1AKMT2AMEN1LMNA
SCHEMBL205873 0.79 UTS2R (0.43) KMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 AVPR1A 2695/4885OXTR 3652/4885PKM 1423/4885

“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.