SCHEMBL3661148

SCHEMBL3661148

CC1(NCc2ccc(C(F)(F)F)nc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.44
MGLL Q99685 1/20 0.44
TACR1 P25103 1/20 0.43
NAMPT P43490 6/20 0.43
MMP13 P45452 1/20 0.41
ADAM17 P78536 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
SCHEMBL3661150 0.85 MGLL (0.44) GPR119MGLLNAMPT
SCHEMBL14155585 0.84 NAMPT (0.46) MGLLNAMPT
SCHEMBL3490742 0.82 NAMPT (0.45) MGLLNAMPTMMP13ADAM17
SCHEMBL26081084 0.82 MGLL (0.46) GPR119MGLLTACR1MMP13ADAM17
SCHEMBL17269796 0.82 GPR119 (0.54) GPR119
SCHEMBL3494553 0.82 NAMPT (0.44) MGLLNAMPTMMP13ADAM17
SCHEMBL20766101 0.82 HDAC2 (0.51) TACR1
SCHEMBL5021637 0.80 NAMPT (0.64) GPR119NAMPT
SCHEMBL21765280 0.79 MGLL (0.46) GPR119MGLLTACR1NAMPT
SCHEMBL22719293 0.79 MGLL (0.43) GPR119MGLLTACR1MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
EP-2238135-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 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 (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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 GPR119 2567/4885MGLL 2795/4885TACR1 2330/4885

“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.