SCHEMBL12433995

SCHEMBL12433995

CCOc1ccc2c(COc3cccc4[nH]c(C(=O)N[C@H]5CC[C@](O)(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)coc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.35
POLB P06746 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MAOB P27338 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LTA4H P09960 4/20 0.33
DRD2 P14416 2/20 0.33
USP2 O75604 1/20 0.33
HTR1A P08908 1/20 0.33
HTR6 P50406 1/20 0.33
MAOA P21397 1/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL2317089 1.00 HTR7 (0.35) HTR7POLBDUSP3PTPN5PTPN11
SCHEMBL14135130 1.00 HTR7 (0.35) HTR7POLBDUSP3PTPN5PTPN11
SCHEMBL12432840 0.95 HTR7 (0.35) HTR7POLBDUSP3PTPN5PTPN11
SCHEMBL2314376 0.95 HTR7 (0.35) HTR7POLBDUSP3PTPN5PTPN11
SCHEMBL2318366 0.95 HTR7 (0.35) HTR7POLBDUSP3PTPN5PTPN11
SCHEMBL12432708 0.95 HTR7 (0.35) HTR7POLBDUSP3PTPN5PTPN11
SCHEMBL12433997 0.94 MAOB (0.39) POLBMAOBKMT2AALDH1A1LTA4H
SCHEMBL2314393 0.94 MAOB (0.39) POLBMAOBKMT2AALDH1A1LTA4H
SCHEMBL12433996 0.94 DRD2 (0.35) HTR7MAOBKMT2ALTA4HDRD2
SCHEMBL12432707 0.94 MAOB (0.33) HTR7MAOBKMT2ALTA4HDRD2

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 5 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

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 HTR7 2127/4885POLB 3383/4885DUSP3 3198/4885

“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.