SCHEMBL408319

SCHEMBL408319

CC(C)c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)no1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR119 Q8TDV5 12/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
USP30 Q70CQ3 1/20 0.43
RECQL P46063 1/20 0.42
NAMPT P43490 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12068155 0.89 RECQL (0.44) MAPTGPR119KDM4ETHRBUSP30
SCHEMBL13246578 0.84 GPR119 (0.53) MAPTGPR119KDM4ETHRBUSP30
SCHEMBL12506046 0.82 MAPT (0.46) MAPTGPR119KDM4ETHRBUSP30
SCHEMBL4713995 0.82 HCRTR1 (0.43) HTT
SCHEMBL12069926 0.81 KDM4E (0.45) MAPTGPR119KDM4ETHRBUSP30
SCHEMBL3488976 0.81 GPR119 (0.48) MAPTGPR119KDM4ETHRBUSP30
SCHEMBL12069916 0.81 HDAC4 (0.49) MAPTGPR119KDM4ETHRBUSP30
SCHEMBL23211817 0.79 MMP13 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL21381594 0.79 MMP13 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL12069920 0.79 HDAC4 (0.43) MAPTGPR119KDM4ETHRBUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
EP-2989093-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2016-03-02 EP disclosed
WO-2014175621-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2014-10-30 WO disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2011148922-A1 NOVEL QUINAZOLINE COMPOUND 田辺三菱製薬株式会社 (JP) 2011-12-01 WO disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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 (3 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-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GPR119, GPR88, GCGR MAPT 4009/4885NPC1 1353/4885ALDH1A1 2726/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4528/4885NPC1 2090/4885ALDH1A1 1333/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT MAPT 1464/4885NPC1 142/4885ALDH1A1 272/4885

“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.