SCHEMBL19990743

SCHEMBL19990743

O=C1NC[C@@H]2C[C@@H](O)CN(Cc3ccccc3)[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FUCA1 P04066 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL18045305 0.78 PARP1 (0.41) L3MBTL1ALDH1A1PARP1GSK3AGSK3B
SCHEMBL18070760 0.78 PARP1 (0.41) L3MBTL1ALDH1A1PARP1GSK3AGSK3B
SCHEMBL22368471 0.77 KDM4E (0.45) MAPTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL19990744 0.77 KDM4E (0.45) MAPTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL19990745 0.77 KDM4E (0.45) MAPTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL21981530 0.77 KDM4E (0.45) MAPTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL22368480 0.73 MAPT (0.43) MAPTKDM4EL3MBTL1FUCA1ALDH1A1
SCHEMBL24326389 0.73 MAPT (0.41) MAPTMEN1KMT2AFUCA1ALDH1A1
SCHEMBL24326275 0.73 MAPT (0.41) MAPTMEN1KMT2AFUCA1ALDH1A1
SCHEMBL24325827 0.73 SIGMAR1 (0.41) MAPTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 — — EP disclosed
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 — — EP disclosed
EP-3698796-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 — — EP disclosed
EP-3519419-B1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2020-05-27 — — EP disclosed
US-10597396-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2020-03-24 — — US disclosed
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 — — US disclosed
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 — — US disclosed
US-10065957-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2018-09-04 — — US disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 — — US disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 — — 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 (4 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-20190177324-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA MAPT 1557/4885KDM4E 2244/4885L3MBTL1 458/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA MAPT 1557/4885KDM4E 2244/4885L3MBTL1 458/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA MAPT 1557/4885KDM4E 2244/4885L3MBTL1 458/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA MAPT 1557/4885KDM4E 2244/4885L3MBTL1 458/4885

“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.

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