SCHEMBL2237486

SCHEMBL2237486

CN(C)CC(C)(C)CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)cc3)cn2CC1O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 16/20 0.45
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
SCHEMBL3524900 0.91 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3527644 0.87 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2185540 0.85 SLC22A2 (0.50) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2186400 0.85 SLC22A2 (0.46) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3522687 0.84 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3523953 0.84 SLC22A2 (0.42) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2242270 0.84 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2186514 0.83 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3523844 0.83 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3528399 0.83 SLC22A2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852434-B1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY SHIONOGI & CO (JP) 2011-07-13 EP disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 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 (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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 SLC22A2 2858/4885CYP3A4 40/4885TMEM97 3919/4885

“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.