SCHEMBL5216969

SCHEMBL5216969

[Li]c1ccc(CN2CCOC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.53
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
NR1I2 O75469 1/20 0.40
KCNH2 Q12809 1/20 0.40
NAAA Q02083 3/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 2/20 0.37
CMA1 P23946 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14002387 0.83 SMN1; SMN2 (0.55) GRM2LTA4HALDH1A1POLBNAAA
SCHEMBL16881052 0.83 GRM2 (0.53) GRM2LTA4HALDH1A1POLBNR1I2
SCHEMBL259624 0.83 GRM2 (0.53) GRM2LTA4HALDH1A1POLBNR1I2
SCHEMBL5315528 0.83 GRM2 (0.53) GRM2LTA4HALDH1A1POLBNR1I2
SCHEMBL531434 0.82 GRM2 (0.52) GRM2LTA4HPOLBNAAAFAAH
SCHEMBL4519506 0.81 GRM2 (0.51) GRM2LTA4HPOLBNAAAFAAH
SCHEMBL30996376 0.79 GRM2 (0.60) GRM2POLBRAB9ASMN1; SMN2CMA1
SCHEMBL14687303 0.79 GRM2 (0.50) GRM2LTA4HALDH1A1POLBNR1I2
SCHEMBL16610628 0.79 GRM2 (0.50) GRM2LTA4HALDH1A1POLBNR1I2
SCHEMBL260552 0.78 KCNJ1 (0.56) GRM2ALDH1A1POLBKCNH2SMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227721-B1 NOVEL SUBSTITUTED SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS MERCK & CO INC (US) 2007-04-04 EP disclosed
EP-1227721-A4 NOVEL SUBSTITUTED SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS MERCK & CO INC (US) 2004-09-22 EP disclosed
US-20030207859-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections BALKOVEC JAMES M (US) 2003-11-06 US disclosed
US-6630510-B1 Together with a beta-lactam antibiotic MERCK & CO., INC. 2003-10-07 US disclosed
EP-1192128-A4 THIOL DERIVATIVE, METALLO-BETA-LACTAMASE INHIBITORS MERCK & CO INC (US) 2003-07-02 EP disclosed
US-20030078418-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections BALKOVEC JAMES M (US) 2003-04-24 US disclosed
EP-1227722-A1 NOVEL SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS Merck & Co., Inc. (US) 2002-08-07 EP disclosed
EP-1227721-A1 NOVEL SUBSTITUTED SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS Merck & Co., Inc. (US) 2002-08-07 EP disclosed
EP-1192128-A1 THIOL DERIVATIVE, METALLO-BETA-LACTAMASE INHIBITORS Merck & Co., Inc. (US) 2002-04-03 EP disclosed
US-20020019543-A1 Thiol derivative, metallo-beta-lactamase inhibitors BALKOVEC JAMES M (US) 2002-02-14 US disclosed
WO-2001030149-A1 NOVEL SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS MERCK & CO., INC. (US) 2001-05-03 WO disclosed
WO-2001030148-A1 NOVEL SUBSTITUTED SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS MERCK & CO., INC. (US) 2001-05-03 WO disclosed
WO-2000076962-A1 THIOL DERIVATIVE, METALLO-BETA-LACTAMASE INHIBITORS MERCK & CO., INC. (US) 2000-12-21 WO 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 (3 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-20030078418-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections SI, ME1, ALPI GRM2 2567/4885LTA4H 614/4885ALDH1A1 79/4885
US-20030207859-A1 Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections SI, ME1, ALPI GRM2 2567/4885LTA4H 614/4885ALDH1A1 79/4885
US-20020019543-A1 Thiol derivative, metallo-beta-lactamase inhibitors CBR1, LBR, CBR3 GRM2 3881/4885LTA4H 283/4885ALDH1A1 576/4885

“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.