SCHEMBL82082

SCHEMBL82082

O=C(NCc1ccc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]3CCCN3[C@@H]1C2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 14/20 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
SCHEMBL81232 1.00 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29775519 1.00 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29775459 1.00 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17748194 1.00 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL18423632 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29775522 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19307744 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81657 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82531 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17748203 0.95 SLC22A2 (0.47) 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2022-03-08 US disclosed
EP-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
US-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity SHINOGI & CO., LTD. (JP) 2021-02-23 US disclosed
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-10696636-B2 Process for the preparation of HIV integrase inhibitors LUPIN LIMITED (IN) 2020-06-30 US disclosed
US-20200172487-A1 PROCESS FOR THE PREPARATION OF HIV INTEGRASE INHIBITORS LUPIN MANUFACTURING SOLUTIONS LIMITED (IN) 2020-06-04 US disclosed
US-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2019-09-19 US disclosed
US-8410103-B2 (3S,11aR)-N-[2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide useful as anti-HIV agent SHIONOGI & CO., LTD. (JP) 2013-04-02 US disclosed
EP-2330902-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-14 EP disclosed
US-20120209000-A1 CHEMICAL COMPOUNDS JOHNS BRIAN ALVIN (US) 2012-08-16 US disclosed
EP-2465858-A1 Process for preparing a pyrido[1,2-a]pyrrolo[1',2':3,4]imidazo[1,2-d]pyrazine-8-carboxamide derivative Glaxosmithkline LLC (US) 2012-06-20 EP disclosed
US-8183372-B2 Substituted 9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydor-1H-pyrido[1,2-a]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazines SHIONOGI & CO., LTD. (JP) 2012-05-22 US disclosed
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY GLAXOSMITHKLINE LLC 2012-05-10 US disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110282055-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES VIIV HEALTHCARE COMPANY 2011-11-17 US disclosed
US-20110124598-A1 CHEMICAL COMPOUNDS VIIV HEALTHCARE COMPANY 2011-05-26 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 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 (13 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-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity DUT, DPYD, IMPDH1 SLC22A2 2499/4885CYP3A4 448/4885TMEM97 2196/4885
US-10696636-B2 Process for the preparation of HIV integrase inhibitors XDH, APOBEC3C, APOBEC3G SLC22A2 3800/4885CYP3A4 5/4885TMEM97 1897/4885
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 SLC22A2 4555/4885CYP3A4 230/4885TMEM97 4128/4885
US-20200172487-A1 PROCESS FOR THE PREPARATION OF HIV INTEGRASE INHIBITORS XDH, APOBEC3C, APOBEC3G SLC22A2 3800/4885CYP3A4 5/4885TMEM97 1897/4885
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 SLC22A2 2976/4885CYP3A4 28/4885TMEM97 3567/4885
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity TYMP, TYMS, POLA1 SLC22A2 4565/4885CYP3A4 234/4885TMEM97 4135/4885
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 SLC22A2 2820/4885CYP3A4 32/4885TMEM97 3581/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL SLC22A2 4476/4885CYP3A4 527/4885TMEM97 4291/4885
US-20120209000-A1 CHEMICAL COMPOUNDS CYP3A5, CYP3A7, CYP11B2 SLC22A2 1549/4885CYP3A4 5/4885TMEM97 3579/4885
US-20110282055-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES CDK2, CDK6, BRD4 SLC22A2 4314/4885CYP3A4 191/4885TMEM97 4340/4885
US-20110124598-A1 CHEMICAL COMPOUNDS APRT, API5, REL SLC22A2 2639/4885CYP3A4 60/4885TMEM97 4076/4885
US-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NR4A2, NR4A3 SLC22A2 3802/4885CYP3A4 22/4885TMEM97 2054/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 SLC22A2 2976/4885CYP3A4 28/4885TMEM97 3567/4885

“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.