SCHEMBL19990602

SCHEMBL19990602

O=C1NCC[C@@H]2C[C@@H](NOCc3ccccc3)CN[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 2/20 0.32
NAAA Q02083 1/20 0.32
CTSL P07711 2/20 0.32
CAPN1 P07384 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL22368498 1.00 GLA (0.38) GLAEPHX2LMNAMAOBNAAA
SCHEMBL19990678 0.74 TGM2 (0.33) EPHX2LMNA
SCHEMBL22368477 0.74 TGM2 (0.33) EPHX2LMNA
SCHEMBL20009183 0.73 BACE1 (0.36) EPHX2CTSL
SCHEMBL3662286 0.71 DPP8 (0.45) EPHX2
SCHEMBL20009197 0.71 PARP1 (0.39) GLAKMT2A
SCHEMBL28303293 0.69 HTR1A (0.35) EPHX2MAOBHTR1ASLC6A2SLC6A4
SCHEMBL28304424 0.69 L3MBTL1 (0.40) GLAEPHX2CTSLKMT2A
SCHEMBL21293006 0.68 ALDH1A1 (0.35) GLAEPHX2MAOB
SCHEMBL17232240 0.68 ALDH1A1 (0.35) GLAEPHX2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843894-B Beta-lactamase inhibitors 诺华股份有限公司 2022-02-08 CN 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-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-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

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 GLA 4/4885EPHX2 1586/4885LMNA 406/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA GLA 4/4885EPHX2 1586/4885LMNA 406/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA GLA 4/4885EPHX2 1586/4885LMNA 406/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA GLA 4/4885EPHX2 1586/4885LMNA 406/4885

“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.