SCHEMBL5539217

SCHEMBL5539217

COCC(C)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
GRIN2B Q13224 11/20 0.38
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN1 Q05586 2/20 0.35
NAMPT P43490 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5540805 0.99 CNR2 (0.39) CNR2GRIN2BALDH1A1HSD17B10GRIN1
SCHEMBL5541086 0.94 CNR2 (0.43) CNR2GRIN2BGRIN1
SCHEMBL5538467 0.92 CNR2 (0.41) CNR2GRIN2BALDH1A1HSD17B10GRIN1
SCHEMBL5545502 0.91 CNR2 (0.41) CNR2GRIN2BALDH1A1HSD17B10GRIN1
SCHEMBL5540818 0.90 GRIN2B (0.40) CNR2GRIN2BALDH1A1GRIN1
SCHEMBL5538537 0.89 GRIN2B (0.39) CNR2GRIN2BALDH1A1GRIN1KDM4E
SCHEMBL15163490 0.88 CNR2 (0.43) CNR2ALDH1A1HSD17B10NAMPTKDM4E
SCHEMBL5546437 0.87 GRIN2B (0.44) CNR2GRIN2BGRIN1
SCHEMBL5541038 0.86 GRIN2B (0.40) CNR2GRIN2BALDH1A1HSD17B10GRIN1
SCHEMBL5547031 0.86 CNR2 (0.39) CNR2ALDH1A1HSD17B10NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885GRIN2B 1400/4885ALDH1A1 3812/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885GRIN2B 4036/4885ALDH1A1 3073/4885

“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.