SCHEMBL948878

SCHEMBL948878

CC(C)(C)OC(=O)N1CCC(c2cnc3ncccn23)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.53
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HPGDS O60760 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL949286 0.82 HPGDS (0.49) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL947924 0.80 GPR119 (0.47) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL947668 0.80 GPR119 (0.52) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL948685 0.78 GPR119 (0.46) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL7478208 0.78 GPR119 (0.65) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL949430 0.76 GPR119 (0.50) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL18865858 0.75 GPR119 (0.52) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL5764304 0.75 KDM4E (0.45) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL7550308 0.75 MEN1 (0.48) GPR119KDM4EMAPTTHRBPOLB
SCHEMBL947723 0.74 GPR119 (0.49) GPR119KDM4EMAPTTHRBHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 GPR119 1327/4885KDM4E 1356/4885MAPT 4771/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 GPR119 1118/4885KDM4E 1558/4885MAPT 4800/4885

“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.