SCHEMBL948188

SCHEMBL948188

CC(=O)[N+]1(C(=O)OCc2ncc3n2C(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C3)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.37
TP53 P04637 1/20 0.36
F10 P00742 5/20 0.36
F2 P00734 3/20 0.36
GPR119 Q8TDV5 4/20 0.35
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
NR3C1 P04150 1/20 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
SRC P12931 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
SCHEMBL948621 0.82 EPHX1 (0.48) HCAR1TP53F10F2GPR119
SCHEMBL948092 0.81 TP53 (0.44) HCAR1TP53F10F2GPR119
SCHEMBL947633 0.81 F10 (0.50) HCAR1TP53F10F2GPR119
SCHEMBL948889 0.80 TP53 (0.43) HCAR1TP53F10F2GPR119
SCHEMBL948472 0.80 F10 (0.38) HCAR1TP53F10F2GPR119
SCHEMBL950492 0.80 TP53 (0.40) HCAR1TP53F10F2GPR119
SCHEMBL948337 0.79 F10 (0.37) HCAR1TP53F10F2GPR119
SCHEMBL948908 0.79 L3MBTL1 (0.37) HCAR1TP53F10F2GPR119
SCHEMBL949698 0.79 TP53 (0.38) HCAR1TP53F10F2GPR119
SCHEMBL949369 0.78 F2 (0.37) HCAR1TP53F10F2GPR119

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 4661/4885F10 545/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 HCAR1 215/4885TP53 4591/4885F10 490/4885

“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.