SCHEMBL2830749

SCHEMBL2830749

C=CCN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.43
ESR1 P03372 1/20 0.43
NR4A1 P22736 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
REN P00797 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL2531923 0.88 GAA (0.53) GAANPC1RAB9AGRIN2DGRIN3B
SCHEMBL21682404 0.85 GAA (0.47) GAANPC1RAB9AGRIN2DGRIN3B
SCHEMBL20009173 0.84 ALDH1A1 (0.53) GAANPC1RAB9AGRIN2DGRIN3B
SCHEMBL28918715 0.84 NPC1 (0.54) GAANPC1RAB9AGRIN2DGRIN3B
SCHEMBL24425877 0.83 NPC1 (0.47) GAANPC1RAB9AGRIN2DGRIN3B
SCHEMBL12973261 0.82 CTSS (0.50) NPC1RAB9APOLBESR1NR4A1
SCHEMBL13311561 0.82 HDAC1 (0.48) NPC1RAB9ALMNAPOLBESR1
SCHEMBL5932371 0.81 GAA (0.50) GAANPC1RAB9AGRIN2DGRIN3B
SCHEMBL5933673 0.81 GAA (0.50) GAANPC1RAB9AGRIN2DGRIN3B
SCHEMBL28304402 0.81 GAA (0.50) GAANPC1RAB9AGRIN2DGRIN3B

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-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-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-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 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 (5 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 GAA 3/4885NPC1 942/4885RAB9A 847/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA GAA 3/4885NPC1 942/4885RAB9A 847/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA GAA 3/4885NPC1 942/4885RAB9A 847/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 GAA 263/4885NPC1 10/4885RAB9A 711/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA GAA 3/4885NPC1 942/4885RAB9A 847/4885

“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.