SCHEMBL19990609

SCHEMBL19990609

O=C1[C@@H]2[C@@H](C[C@@H]3CN2C(=O)N3OCc2ccccc2)CN1CCO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
DHFR P00374 1/20 0.31
FKBP1A P62942 2/20 0.31
PREP P48147 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL22368509 1.00 KCNA5 (0.35) KCNA5MEN1KMT2AKDM4CDHFR
SCHEMBL20009186 0.90 FKBP1A (0.38) KCNA5MEN1KMT2AKDM4CDHFR
SCHEMBL19990799 0.88 KCNA5 (0.32) KCNA5DHFR
SCHEMBL22368502 0.85 KCNA5 (0.37) KCNA5MEN1KMT2AKDM4CDHFR
SCHEMBL20009179 0.85 KCNA5 (0.37) KCNA5MEN1KMT2AKDM4CDHFR
SCHEMBL22368497 0.85 ALOX15 (0.35) KCNA5DHFR
SCHEMBL19990666 0.85 ALOX15 (0.35) KCNA5DHFR
SCHEMBL19990723 0.85 KCNA5 (0.32) KCNA5MEN1KMT2AKDM4CALDH1A1
SCHEMBL22368496 0.83 KCNA5 (0.37) KCNA5MEN1KMT2AKDM4CDHFR
SCHEMBL19990955 0.83 KCNA5 (0.37) KCNA5MEN1KMT2AKDM4CDHFR

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 14 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
EP-3519419-A1 BETA-LACTAMASE INHIBITORS Novartis AG (CH) 2019-08-07 EP 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
WO-2018060926-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-04-05 WO 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 2796/4885MEN1 3698/4885KMT2A 1342/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885MEN1 3698/4885KMT2A 1342/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KCNA5 2796/4885MEN1 3698/4885KMT2A 1342/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885MEN1 3698/4885KMT2A 1342/4885

“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.