SCHEMBL948978

SCHEMBL948978

CC(=O)N1CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)cnc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GPR119 Q8TDV5 8/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HPGDS O60760 1/20 0.42
HPGD P15428 2/20 0.41
NAMPT P43490 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL948718 0.82 HPGD (0.48) THRBKDM4EMAPTGPR119DDB1
SCHEMBL21714339 0.81 GPR119 (0.42) THRBKDM4EMAPTGPR119DDB1
SCHEMBL20780008 0.78 HSD11B1 (0.49) TP53MEN1KMT2A
SCHEMBL18701800 0.76 PDK2 (0.45) MEN1KMT2A
SCHEMBL17790245 0.74 P2RX7 (0.48) MAPTGPR119MEN1KMT2AALDH1A1
SCHEMBL20772171 0.74 TP53 (0.50) MAPTTP53MEN1KMT2ANPSR1
SCHEMBL18865858 0.74 GPR119 (0.52) THRBKDM4EMAPTGPR119DDB1
SCHEMBL601417 0.73 P2RX7 (0.47) MAPTGPR119MEN1KMT2AALDH1A1
SCHEMBL10183072 0.73 NR1H2 (0.47) MAPTGPR119USP2ALDH1A1
SCHEMBL13575643 0.73 NR1H2 (0.47) MAPTGPR119USP2ALDH1A1

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.