SCHEMBL19990691

SCHEMBL19990691

O=C1NCC[C@@H]2C[C@@H]3CN(C(=O)N3OCc3ccccc3)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.35
GLA P06280 1/20 0.34
DHFR P00374 1/20 0.34
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL22368484 1.00 KCNA5 (0.35) KCNA5GLADHFRKMT2ACTSL
SCHEMBL19990788 0.89 KCNA5 (0.37) KCNA5GLADHFRCTSLALDH1A1
SCHEMBL22368470 0.89 KCNA5 (0.37) KCNA5GLADHFRCTSLALDH1A1
SCHEMBL19990955 0.80 KCNA5 (0.37) KCNA5DHFRKMT2ACTSLCTSB
SCHEMBL22368496 0.80 KCNA5 (0.37) KCNA5DHFRKMT2ACTSLCTSB
SCHEMBL22368502 0.77 KCNA5 (0.37) KCNA5DHFRKMT2AALDH1A1
SCHEMBL20009179 0.77 KCNA5 (0.37) KCNA5DHFRKMT2AALDH1A1
SCHEMBL22368497 0.75 ALOX15 (0.35) KCNA5DHFR
SCHEMBL19990666 0.75 ALOX15 (0.35) KCNA5DHFR
SCHEMBL19990952 0.75

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 12 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-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
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 KCNA5 2796/4885GLA 4/4885DHFR 516/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885GLA 4/4885DHFR 516/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KCNA5 2796/4885GLA 4/4885DHFR 516/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885GLA 4/4885DHFR 516/4885

“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.