Sugi Predict

Sugi Predict / Compounds / SCHEMBL214982

SCHEMBL214982

SCHEMBL214982

Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CHEK2 O96017 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL31049781 0.89 NPC1 (0.47) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL216138 0.89 NPC1 (0.47) GPR119NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL217021 0.88 GPR119 (0.54) GPR119HRH3CHEK2LMNAALDH1A1
SCHEMBL2491113 0.88 GPR119 (0.63) GPR119HRH3CHEK2LMNAALDH1A1
SCHEMBL4402806 0.88 GPR119 (0.54) GPR119HRH3CHEK2LMNAALDH1A1
SCHEMBL1447329 0.87 GPR119 (0.54) GPR119HRH3CHEK2LMNAALDH1A1
SCHEMBL2825514 0.87 GPR119 (0.53) GPR119HRH3CHEK2LMNAALDH1A1
SCHEMBL12041715 0.86 GPR119 (0.53) GPR119HRH3CHEK2LMNAALDH1A1
SCHEMBL21633387 0.86 GPR119 (0.53) GPR119HRH3CHEK2LMNAALDH1A1
SCHEMBL215338 0.86 GPR119 (0.54) GPR119HRH3CHEK2LMNAALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
EP-1957479-B1 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-02 — — EP disclosed
US-7745479-B2 1,5-substituted indol-2-yl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-06-29 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
EP-1957479-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 — — EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — WO disclosed
WO-2007062999-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 — — US disclosed
US-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-11 — — US disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 — — EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 — — US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 — — US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 — — US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 — — EP disclosed
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 — — US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 — — EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 — — 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 (6 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK GPR119 2753/4885HRH3 3290/4885NPC1 1443/4885
US-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 GPR119 2016/4885HRH3 1553/4885NPC1 3307/4885
US-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives HRH4, HRH3, HRH2 GPR119 14/4885HRH3 2/4885NPC1 1393/4885
US-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof MAPK1, NOS1, NOS2 GPR119 2140/4885HRH3 2637/4885NPC1 1130/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 GPR119 3838/4885HRH3 154/4885NPC1 4719/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 GPR119 3852/4885HRH3 159/4885NPC1 4709/4885

“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.