SCHEMBL3620523

SCHEMBL3620523

COC(=O)c1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.84
CNR2 P34972 18/20 0.84
GABRA1 P14867 2/20 0.84
ADRA2C P18825 2/20 0.84
SLC6A3 Q01959 2/20 0.84
EGFR P00533 1/20 0.84
ALOX5 P09917 1/20 0.84
ADORA3 P0DMS8 1/20 0.84
MAPK3 P27361 1/20 0.84
OPRL1 P41146 1/20 0.84
SLC18A2 Q05940 1/20 0.84
MAPK14 Q16539 1/20 0.84
TMEM97 Q5BJF2 1/20 0.84
SIGMAR1 Q99720 1/20 0.84
ADRB3 P13945 1/20 0.67
ADRA2B P18089 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
OPRD1 P41143 1/20 0.67

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
Naphthyridinone SCHEMBL762298 0.92 CNR1 (1.00) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3623205 0.91 CNR1 (0.79) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL5315906 0.91 CNR1 (0.76) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3621932 0.88 CNR1 (0.83) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3624392 0.88 CNR1 (1.00) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3627613 0.88 CNR1 (0.84) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3623463 0.88 CNR1 (0.82) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3616208 0.87 CNR1 (0.91) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3625557 0.87 CNR1 (1.00) CNR1CNR2GABRA1ADRA2CSLC6A3
SCHEMBL3620209 0.86 CNR1 (0.80) CNR1CNR2GABRA1ADRA2CSLC6A3

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
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 US claimed
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP claimed
JP-2007510649-A 2007-04-26 JP claimed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US claimed
EP-1682550-A4 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2007-01-03 EP claimed
EP-1682550-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES Merck & Co., Inc. (US) 2006-07-26 EP claimed
WO-2005047285-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO., INC. (US) 2005-05-26 WO claimed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 US disclosed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 US disclosed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 US disclosed
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP disclosed
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US 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-20070032517-A1 Substituted naphthyridinone derivatives CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885GABRA1 56/4885

“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.