SCHEMBL8554343

SCHEMBL8554343

CC(C)(C)OC(=O)N1CCNC[C@@H]1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
HSD17B10 Q99714 1/20 0.40
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8554593 1.00 PARP1 (0.43) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL17560433 1.00 PARP1 (0.43) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL2827159 0.88 PARP1 (0.42) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL28704904 0.86 PARP1 (0.44) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL18673224 0.86 PARP1 (0.44) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL7995550 0.86 PARP1 (0.44) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL1685922 0.86 HSD17B10 (0.47) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL2480988 0.86 HSD17B10 (0.47) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL2480835 0.86 HSD17B10 (0.47) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL2584375 0.86 PARP1 (0.44) PARP1HSD17B10MC4RMC5RSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 US disclosed
EP-3654968-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme Corp. (US) 2020-05-27 EP disclosed
WO-2019018186-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 WO disclosed
EP-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP disclosed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP 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-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MLX, MMP12, SLC11A2 PARP1 2078/4885HSD17B10 805/4885MC4R 4742/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 PARP1 2078/4885HSD17B10 805/4885MC4R 4742/4885

“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.