SCHEMBL5539157

SCHEMBL5539157

CN(C)C(=O)Cn1c(=O)c(C(=O)NC2CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.49
CNR1 P21554 10/20 0.49
GRIN2B Q13224 2/20 0.39
BRD4 O60885 1/20 0.39
FAAH O00519 2/20 0.38
ABHD12 Q8N2K0 1/20 0.38

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
SCHEMBL5538383 0.97 CNR2 (0.46) CNR2CNR1FAAHABHD12
SCHEMBL5538510 0.90 GRIN2B (0.43) CNR2CNR1GRIN2B
SCHEMBL5547353 0.88 CNR2 (0.48) CNR2CNR1GRIN2BFAAH
SCHEMBL5541008 0.87 L3MBTL1 (0.41) CNR2CNR1GRIN2B
SCHEMBL4760442 0.87 L3MBTL1 (0.41) CNR2CNR1GRIN2B
SCHEMBL5541201 0.86 CNR2 (0.46) CNR2CNR1GRIN2BBRD4
SCHEMBL5538501 0.86 KDM4E (0.43) CNR2CNR1GRIN2B
SCHEMBL4586053 0.86 L3MBTL1 (0.40) CNR2CNR1GRIN2B
SCHEMBL4718990 0.86 L3MBTL1 (0.43) CNR2CNR1GRIN2B
SCHEMBL5540909 0.85 L3MBTL1 (0.41) CNR2CNR1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
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
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (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 3954/4885CNR1 4053/4885GRIN2B 1400/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885CNR1 4670/4885GRIN2B 4036/4885

“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.