SCHEMBL949104

SCHEMBL949104

CC(=O)OC(c1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2)N1CCCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.35
VNN1 O95497 1/20 0.34
GPR119 Q8TDV5 5/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
NR3C1 P04150 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
FPR2 P25090 1/20 0.33
F10 P00742 3/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL949703 0.98 HCAR1 (0.37) HCAR1TP53HPGDVNN1GPR119
SCHEMBL948876 0.80 HCAR1 (0.41) HCAR1TP53HPGDGPR119KDM4E
SCHEMBL949102 0.74 TP53 (0.39) HCAR1TP53HPGDVNN1GPR119
SCHEMBL947633 0.73 F10 (0.50) HCAR1TP53HPGDGPR119KDM4E
SCHEMBL949939 0.73 GPR119 (0.44) HCAR1TP53HPGDGPR119KDM4E
SCHEMBL948092 0.73 TP53 (0.44) HCAR1TP53HPGDGPR119KDM4E
SCHEMBL948889 0.73 TP53 (0.43) HCAR1TP53HPGDGPR119KDM4E
SCHEMBL948646 0.72 TP53 (0.38) HCAR1TP53HPGDVNN1GPR119
SCHEMBL949698 0.71 TP53 (0.38) HCAR1TP53VNN1GPR119KDM4E
SCHEMBL1976724 0.70 HPGD (0.52) HCAR1TP53HPGDVNN1GPR119

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 HCAR1 130/4885TP53 4661/4885HPGD 356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 HCAR1 215/4885TP53 4591/4885HPGD 248/4885

“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.