SCHEMBL2316931

SCHEMBL2316931

OC[C@@H]1COc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
PSMB5 P28074 4/20 0.44
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAOB P27338 2/20 0.40
PSMB8 P28062 1/20 0.38
FFAR1 O14842 2/20 0.38
PPARA Q07869 1/20 0.38
MAOA P21397 1/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL2316932 1.00 LTB4R (0.47) LTB4RLTB4R2PSMB5HTR2CKCNH2
SCHEMBL6099078 1.00 LTB4R (0.47) LTB4RLTB4R2PSMB5HTR2CKCNH2
SCHEMBL8647207 0.85 LTB4R (0.45) LTB4RLTB4R2PSMB5HTR2CPPARG
SCHEMBL29961247 0.81 ITGB2 (0.41) LTB4RLTB4R2KCNH2MAOBMAOA
SCHEMBL3585379 0.81 ITGB2 (0.41) LTB4RLTB4R2KCNH2MAOBMAOA
SCHEMBL506552 0.80 CYP2D6 (0.47) LTB4RLTB4R2PSMB5HTR2CPPARG
SCHEMBL2688677 0.80 LTB4R (0.44) LTB4RLTB4R2PSMB5HTR2CKCNH2
SCHEMBL19574896 0.80 LTB4R (0.44) LTB4RLTB4R2PSMB5HTR2CKCNH2
SCHEMBL203850 0.79 PPARG (0.62) PSMB5PPARGPPARDFFAR1PPARA
SCHEMBL204961 0.79 PPARG (0.62) PSMB5PPARGPPARDFFAR1PPARA

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 8 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
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
EP-2125782-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-7153852-B2 Indole compounds, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1424325-A1 INDOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP 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 (2 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-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient IDO1, IDO2, PTGIR LTB4R 33/4885LTB4R2 30/4885PSMB5 1358/4885
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 LTB4R 3690/4885LTB4R2 4003/4885PSMB5 4009/4885

“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.