SCHEMBL1780408

SCHEMBL1780408

CCCCCc1nnco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CTSK P43235 1/20 0.35
PPARA Q07869 1/20 0.34
CYP3A4 P08684 2/20 0.33
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL4611727 0.98 KCNH2 (0.39) KCNH2MTNR1AMTNR1BCTSKCYP3A4
SCHEMBL21144228 0.98 KCNH2 (0.39) KCNH2MTNR1AMTNR1BCTSKCYP3A4
SCHEMBL21210736 0.98 KCNH2 (0.39) KCNH2MTNR1AMTNR1BCTSKCYP3A4
Hydrochloric Acid SCHEMBL27471182 0.94 MTNR1A (0.35) KCNH2MTNR1AMTNR1BCTSKPPARA
SCHEMBL4610821 0.88 EPHX2 (0.41)
SCHEMBL19276531 0.80 HRH1 (0.38) MTNR1AMTNR1BCYP3A4
SCHEMBL2091960 0.78 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL2095686 0.78 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL2090144 0.77 CES1 (0.37) MTNR1AMTNR1BTBXAS1MAPT
SCHEMBL2090142 0.77 CES1 (0.37) MTNR1AMTNR1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096220-B 2-carbonyl-5-aryl-1, 3, 4-oxadiazole steric hindrance type luminescent material and preparation method thereof 信阳师范学院 2020-08-28 CN claimed
CN-106866649-A The preparation method and application of the pyrazol acid amide compounds containing the oxadiazole structure of 5 aryl 1,3,4 南通大学 2017-06-20 CN claimed
CN-109096220-B 2-carbonyl-5-aryl-1, 3, 4-oxadiazole steric hindrance type luminescent material and preparation method thereof 信阳师范学院 2020-08-28 CN disclosed
CN-109096220-B 2-carbonyl-5-aryl-1, 3, 4-oxadiazole steric hindrance type luminescent material and preparation method thereof 信阳师范学院 2020-08-28 CN disclosed
CN-109844574-A functional film 大金工业株式会社 2019-06-04 CN disclosed
CN-109311191-A The manufacturing method of transferred object with transfer pattern 大金工业株式会社 2019-02-05 CN disclosed
CN-106866649-A The preparation method and application of the pyrazol acid amide compounds containing the oxadiazole structure of 5 aryl 1,3,4 南通大学 2017-06-20 CN disclosed
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 KCNH2 500/4885MTNR1A 3744/4885MTNR1B 3167/4885
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR KCNH2 827/4885MTNR1A 113/4885MTNR1B 95/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR KCNH2 948/4885MTNR1A 98/4885MTNR1B 85/4885

“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.