SCHEMBL19990955

SCHEMBL19990955

O=C1[C@@H]2[C@@H](C[C@@H]3CN2C(=O)N3OCc2ccccc2)CN1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.37
DHFR P00374 1/20 0.35
HSD11B1 P28845 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
CTSF Q9UBX1 1/20 0.31
HDAC1 Q13547 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
SCHEMBL22368496 1.00 KCNA5 (0.37) KCNA5DHFRHSD11B1CHRM2CHRM3
SCHEMBL20009179 0.86 KCNA5 (0.37) KCNA5DHFRCHRM2CHRM3ALDH1A1
SCHEMBL22368502 0.86 KCNA5 (0.37) KCNA5DHFRCHRM2CHRM3ALDH1A1
SCHEMBL22368509 0.83 KCNA5 (0.35) KCNA5DHFRALDH1A1MEN1KMT2A
SCHEMBL19990609 0.83 KCNA5 (0.35) KCNA5DHFRALDH1A1MEN1KMT2A
SCHEMBL20009186 0.82 FKBP1A (0.38) KCNA5DHFRALDH1A1MEN1KMT2A
SCHEMBL22368497 0.81 ALOX15 (0.35) KCNA5DHFR
SCHEMBL19990666 0.81 ALOX15 (0.35) KCNA5DHFR
SCHEMBL19990691 0.80 KCNA5 (0.35) KCNA5DHFRALDH1A1KMT2ACTSL
SCHEMBL22368484 0.80 KCNA5 (0.35) KCNA5DHFRALDH1A1KMT2ACTSL

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 2796/4885DHFR 516/4885HSD11B1 312/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885DHFR 516/4885HSD11B1 312/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KCNA5 2796/4885DHFR 516/4885HSD11B1 312/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885DHFR 516/4885HSD11B1 312/4885

“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.