SCHEMBL19327596

SCHEMBL19327596

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCC3CCCN3C1C2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 17/20 0.48
CYP3A4 P08684 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL80495 1.00 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17005322 1.00 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL18462454 1.00 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82687 0.94 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL22584732 0.94 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19071857 0.94 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82023 0.94 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19307742 0.90 SLC22A2 (0.46) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19307722 0.89 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL21023853 0.89 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045206-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2018-03-28 EP disclosed
US-20170260203-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-14 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-20170260203-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 SLC22A2 2974/4885CYP3A4 28/4885TMEM97 3548/4885

“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.