SCHEMBL12433997

SCHEMBL12433997

COc1ccc2c(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 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CXCR3 P49682 1/20 0.34
LTA4H P09960 3/20 0.33
ACHE P22303 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 3/20 0.33
MCHR1 Q99705 3/20 0.33
MAOA P21397 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2314393 1.00 MAOB (0.39) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL14134841 0.95 MAOB (0.38) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL12432842 0.95 MAOB (0.38) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL2316735 0.95 MAOB (0.38) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL12433996 0.95 DRD2 (0.35) MAOBDRD2DRD3KMT2ACXCR3
SCHEMBL2317089 0.94 HTR7 (0.35) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL14135130 0.94 HTR7 (0.35) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL12433995 0.94 HTR7 (0.35) MAOBDRD2DRD3KMT2AALDH1A1
SCHEMBL12432614 0.94 DRD2 (0.34) MAOBDRD2DRD3KMT2ALTA4H
SCHEMBL2315661 0.94 DRD2 (0.34) MAOBDRD2DRD3KMT2ALTA4H

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 MAOB 542/4885DRD2 1941/4885DRD3 2334/4885

“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.