SCHEMBL208694

SCHEMBL208694

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.41
LMNA P02545 1/20 0.40
OXTR P30559 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
ACACB O00763 2/20 0.38
CNR2 P34972 1/20 0.36
CCR2 P41597 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL209932 0.89 AVPR1A (0.44) AVPR1ALMNAOXTR
SCHEMBL4076358 0.88 AVPR1A (0.43) AVPR1AOXTRL3MBTL1
SCHEMBL4049886 0.84 MAPT (0.45) LMNAHPGDPOLBCCR2L3MBTL1
SCHEMBL4079453 0.84 LMNA (0.43) AVPR1ALMNAOXTRHPGDPOLB
SCHEMBL206402 0.84 ALDH1A1 (0.41) HPGDL3MBTL1GAAALDH1A1
SCHEMBL206809 0.83 KMT2A (0.46) LMNAGAAALDH1A1
SCHEMBL4084189 0.83 HRH3 (0.40) HPGDL3MBTL1ALDH1A1
SCHEMBL207560 0.83 POLB (0.41) AVPR1ALMNAHPGDPOLBGAA
SCHEMBL208300 0.83 LMNA (0.50) LMNAPOLBALDH1A1
SCHEMBL206987 0.83 POLB (0.56) LMNAHPGDPOLBGAA

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 2 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 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 2695/4885LMNA 1995/4885OXTR 3652/4885

“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.