SCHEMBL20009179

SCHEMBL20009179

CN1C[C@@H]2C[C@@H]3CN(C(=O)N3OCc3ccccc3)[C@@H]2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.37
KDM4C Q9H3R0 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTA4H P09960 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
SCHEMBL22368502 1.00 KCNA5 (0.37) KCNA5KDM4CMEN1KMT2AALDH1A1
SCHEMBL20009186 0.87 FKBP1A (0.38) KCNA5KDM4CMEN1KMT2AALDH1A1
SCHEMBL22368496 0.86 KCNA5 (0.37) KCNA5KDM4CMEN1KMT2AALDH1A1
SCHEMBL19990955 0.86 KCNA5 (0.37) KCNA5KDM4CMEN1KMT2AALDH1A1
SCHEMBL22368509 0.85 KCNA5 (0.35) KCNA5KDM4CMEN1KMT2AALDH1A1
SCHEMBL19990609 0.85 KCNA5 (0.35) KCNA5KDM4CMEN1KMT2AALDH1A1
SCHEMBL19990723 0.82 KCNA5 (0.32) KCNA5KDM4CMEN1KMT2AALDH1A1
SCHEMBL22368497 0.81 ALOX15 (0.35) KCNA5HSD17B10DHFR
SCHEMBL19990666 0.81 ALOX15 (0.35) KCNA5HSD17B10DHFR
SCHEMBL19990799 0.80 KCNA5 (0.32) KCNA5DHFR

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
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
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 KCNA5 2796/4885KDM4C 2410/4885MEN1 3698/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KCNA5 2796/4885KDM4C 2410/4885MEN1 3698/4885

“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.