SCHEMBL12433994

SCHEMBL12433994

C[C@H]1CN(CC[C@]2(O)CC[C@@H](NC(=O)c3cc4c(OCc5coc6ccc(Cl)cc56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.35
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
DRD3 P35462 3/20 0.33
HTR7 P34969 2/20 0.33
HTR1A P08908 2/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
F10 P00742 2/20 0.32
SOS1 Q07889 2/20 0.31
BDKRB1 P46663 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
PTGS2 P35354 1/20 0.31
NUDT1 P36639 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL2313717 1.00 RHEB (0.35) RHEBCNR1KDM4EALDH1A1DRD2
SCHEMBL916123 0.92 RHEB (0.39) RHEBCNR1KDM4EALDH1A1DRD2
SCHEMBL2316977 0.90 KDM4E (0.33) CNR1KDM4EALDH1A1DRD2HTR2A
SCHEMBL2316234 0.89 KMT2A (0.38) KDM4EALDH1A1DRD2DRD3KMT2A
SCHEMBL14135216 0.89 KMT2A (0.38) KDM4EALDH1A1DRD2DRD3KMT2A
SCHEMBL13519625 0.89 HTR7 (0.34) ALDH1A1DRD2HTR2ADRD3HTR7
SCHEMBL12432834 0.89 KMT2A (0.38) KDM4EALDH1A1DRD2DRD3KMT2A
SCHEMBL2318639 0.89 HTR7 (0.34) ALDH1A1DRD2HTR2ADRD3HTR7
SCHEMBL12433997 0.88 MAOB (0.39) ALDH1A1DRD2DRD3KMT2AMAOB
SCHEMBL2314393 0.88 MAOB (0.39) ALDH1A1DRD2DRD3KMT2AMAOB

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-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 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-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 RHEB 3367/4885CNR1 72/4885KDM4E 777/4885

“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.