SCHEMBL947723

SCHEMBL947723

Cc1ccc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.49
KMT2A Q03164 1/20 0.46
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.44
HPGDS O60760 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL7545748 0.88 GPR119 (0.45) GPR119KMT2ATP53LMNAMAPT
SCHEMBL7547603 0.88 POLB (0.48) GPR119KMT2ATP53HPGDSTHRB
SCHEMBL7544334 0.85 HPGDS (0.52) GPR119KMT2ATP53LMNAHPGDS
SCHEMBL7546850 0.85 GPR119 (0.43) GPR119KMT2ATP53LMNAMAPT
SCHEMBL949430 0.83 GPR119 (0.50) GPR119KMT2ATP53LMNAMAPT
SCHEMBL949286 0.83 HPGDS (0.49) GPR119KMT2ATP53LMNAMAPT
SCHEMBL7551025 0.83 GPR119 (0.47) GPR119KMT2ATP53TDP1LMNA
SCHEMBL947668 0.79 GPR119 (0.52) GPR119MAPTHPGDSKDM4ETHRB
SCHEMBL7550308 0.78 MEN1 (0.48) GPR119KMT2ATP53LMNAMAPT
SCHEMBL5764304 0.78 KDM4E (0.45) GPR119KMT2AMAPTHPGDSKDM4E

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 1327/4885KMT2A 417/4885TP53 4661/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 GPR119 1118/4885KMT2A 491/4885TP53 4591/4885

“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.