SCHEMBL948728

SCHEMBL948728

CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 2/20 0.44
GPR119 Q8TDV5 3/20 0.43
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
PIK3CD O00329 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGDS O60760 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL948140 0.85 MAPT (0.50) THRBKDM4EMAPTHTTGPR119
SCHEMBL949709 0.77 FAAH (0.45) THRBKDM4EMAPTGPR119
SCHEMBL17380769 0.74 DDB1 (0.38) THRBKDM4EMAPTHTTGPR119
SCHEMBL15891183 0.73 THRB (0.46) THRBKDM4EMAPTHTTGPR119
SCHEMBL14849626 0.72 KDM4E (0.53) THRBKDM4EMAPTHTTGPR119
SCHEMBL947009 0.72 KDM4E (0.53) THRBKDM4EMAPTHTTGPR119
SCHEMBL6106371 0.71 MAPT (0.45) THRBKDM4EMAPTHTTGAA
SCHEMBL16457324 0.71 GPR119 (0.45) THRBKDM4EMAPTGPR119GAA
SCHEMBL6105298 0.71 PIK3CD (0.44) THRBKDM4EMAPTHTTGPR119
SCHEMBL23306607 0.71 KDM4E (0.49) THRBKDM4EMAPTHTTGPR119

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 THRB 615/4885KDM4E 1356/4885MAPT 4771/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 THRB 604/4885KDM4E 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.