SCHEMBL20012958

SCHEMBL20012958

CC(C)(C)OC(=O)NCCN1C[C@@H]2C[C@@H]3CN(C(=O)N3O)[C@@H]2C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
VDR P11473 1/20 0.34
DRD2 P14416 4/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAN2B1 O00754 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL19990694 0.85 DRD2 (0.33) CACNA1HVDRDRD2MEN1GAA
SCHEMBL19990697 0.84 DRD2 (0.33) CACNA1HVDRDRD2TDP1MAN2B1
SCHEMBL19990695 0.84 DRD2 (0.33) CACNA1HVDRDRD2TDP1MAN2B1
SCHEMBL18059584 0.69 GFER (0.40) DRD2MEN1GAAKMT2AEPHX1
SCHEMBL16644640 0.69 GFER (0.40) DRD2MEN1GAAKMT2AEPHX1
SCHEMBL26752479 0.67 CACNA1H (0.44) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL21389155 0.67 CACNA1H (0.44) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL17976512 0.67 EPHX1 (0.35) MEN1GAAKMT2AEPHX1GFER
SCHEMBL22782594 0.67 EPHX1 (0.35) MEN1GAAKMT2AEPHX1GFER
SCHEMBL16730093 0.67 EPHX1 (0.35) MEN1GAAKMT2AEPHX1GFER

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 4 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-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 EP disclosed
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 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 (2 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 CACNA1H 3970/4885VDR 4712/4885DRD2 4235/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA CACNA1H 3970/4885VDR 4712/4885DRD2 4235/4885

“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.