SCHEMBL948718

SCHEMBL948718

CC(C)(C)OC(=O)N1CCC(c2cnc3n2CCCC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
F10 P00742 1/20 0.46
GPR119 Q8TDV5 8/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
POLB P06746 1/20 0.43
HPGDS O60760 2/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL21714480 0.87 F10 (0.42) HPGDF10GPR119HPGDS
SCHEMBL21714152 0.83 GPR119 (0.40) F10GPR119KDM4EMAPTTHRB
SCHEMBL948978 0.82 THRB (0.46) HPGDGPR119KDM4EMAPTTHRB
SCHEMBL948655 0.79 EPHX1 (0.50) HPGDMAPTTHRBPOLBMEN1
SCHEMBL25235249 0.77 KDM4E (0.46) HPGDGPR119KDM4EMAPTTHRB
SCHEMBL18865858 0.76 GPR119 (0.52) HPGDGPR119KDM4EMAPTTHRB
SCHEMBL25436027 0.74 POLB (0.43) HPGDGPR119KDM4EMAPTTHRB
SCHEMBL947723 0.73 GPR119 (0.49) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL21714339 0.73 GPR119 (0.42) GPR119KDM4EMAPTTHRBDDB1
SCHEMBL948685 0.72 GPR119 (0.46) HPGDGPR119KDM4EMAPTTHRB

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-3096754-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9708336-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
EP-3096754-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
WO-2015112441-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO disclosed
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 HPGD 356/4885F10 545/4885GPR119 1327/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 HPGD 248/4885F10 490/4885GPR119 1118/4885
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MGAM, MGAM2, GAA HPGD 444/4885F10 2774/4885GPR119 4382/4885

“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.