SCHEMBL5548650

SCHEMBL5548650

O=C(NCCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.44
CNR1 P21554 7/20 0.44
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPT P10636 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
SCHEMBL5539016 0.96 CNR2 (0.47) CNR2CNR1TSHRPIK3CA
SCHEMBL5547092 0.93 CYP2C19 (0.46) TSHRKDM4EALDH1A1
SCHEMBL5546009 0.92 CYP2C19 (0.46) TSHRKDM4EALDH1A1
SCHEMBL5545511 0.90 CYP2C19 (0.41) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL5538960 0.90 CYP2C19 (0.42) TSHRKDM4EALDH1A1
SCHEMBL5539930 0.90 CYP2C19 (0.46) TSHRKDM4EALDH1A1
SCHEMBL5546857 0.89 CYP2C19 (0.41) CNR2TSHRKDM4EALDH1A1
SCHEMBL5545748 0.89 CYP2C19 (0.40) CNR2TSHRKDM4EALDH1A1
SCHEMBL5539125 0.89 CYP2C19 (0.45) TSHRKDM4EALDH1A1
SCHEMBL15163489 0.89 CNR2 (0.45) CNR2CNR1TSHRKDM4EALDH1A1

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 7 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
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 4053/4885TSHR 4052/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885CNR1 4670/4885TSHR 4622/4885

“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.