SCHEMBL2679802

SCHEMBL2679802

NC[C@H]1CCCCN1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 2/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1596887 1.00 POLB (0.42) POLBL3MBTL1DPP4PREPFAP
SCHEMBL1596883 1.00 POLB (0.42) POLBL3MBTL1DPP4PREPFAP
Hydrochloric Acid SCHEMBL20570928 0.98 POLB (0.41) POLBL3MBTL1DPP4PREPFAP
SCHEMBL1597059 0.94 POLB (0.48) POLBL3MBTL1DPP4PREPFAP
SCHEMBL1597060 0.94 POLB (0.48) POLBL3MBTL1DPP4PREPFAP
SCHEMBL3335647 0.94 POLB (0.48) POLBL3MBTL1DPP4PREPFAP
Hydrochloric Acid SCHEMBL11895384 0.92 POLB (0.47) POLBL3MBTL1DPP4PREPFAP
Hydrochloric Acid SCHEMBL11896218 0.92 POLB (0.47) POLBL3MBTL1DPP4PREPFAP
Tert-Butanol SCHEMBL28911378 0.91 HTT (0.38) POLBL3MBTL1DPP4NPC1RAB9A
Tert-Butanol SCHEMBL28547075 0.85 POLB (0.42) POLBL3MBTL1DPP4PREPFAP

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199655-A1 Immunoproteasome Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-06-20 US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 CN disclosed
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 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-20220073538-A1 Immunoproteasome Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-03-10 US disclosed
US-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
EP-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
WO-2021084264-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-05-06 WO disclosed
CN-101212903-B Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity SHIONOGI & CO 2013-07-24 CN disclosed
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE COMPANY (US) 2013-07-04 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
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY GLAXOSMITHKLINE LLC 2012-05-10 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
CN-101212903-A Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity SMITHKLINE BEECHAM CORP (US) 2008-07-02 CN disclosed
EP-1874117-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SmithKline Beecham Corporation (US) 2008-01-09 EP disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
WO-2006116764-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-02 WO 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 (10 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-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 POLB 692/4885L3MBTL1 3263/4885DPP4 1301/4885
US-20240199655-A1 Immunoproteasome Inhibitors PSMC2, PSMB7, PSMB2 POLB 692/4885L3MBTL1 3263/4885DPP4 1301/4885
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 POLB 7/4885L3MBTL1 4063/4885DPP4 39/4885
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 POLB 425/4885L3MBTL1 851/4885DPP4 167/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 POLB 692/4885L3MBTL1 3263/4885DPP4 1301/4885
US-20220073538-A1 Immunoproteasome Inhibitors PSMC2, PSMB7, PSMB2 POLB 692/4885L3MBTL1 3263/4885DPP4 1301/4885
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 POLB 425/4885L3MBTL1 851/4885DPP4 167/4885
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 POLB 3260/4885L3MBTL1 754/4885DPP4 949/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 POLB 425/4885L3MBTL1 851/4885DPP4 167/4885
US-20230045929-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS SIK2, SIK3, SIK1 POLB 1600/4885L3MBTL1 1989/4885DPP4 4281/4885

“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.