SCHEMBL948385

SCHEMBL948385

CC(C)(C)OC(=O)N(Cc1cn(COCC[Si](C)(C)C)cn1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD11B1 P28845 1/20 0.39
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
CHRM4 P08173 1/20 0.38
CCR5 P51681 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3448469 0.90 OPRM1 (0.48) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL948539 0.84 OPRM1 (0.41) OPRM1CHRM2CHRM3HSD11B1UBE2M
SCHEMBL949665 0.84 UBE2M (0.42) OPRM1CHRM2CHRM3HSD11B1UBE2M
SCHEMBL947326 0.80 OPRM1 (0.46) OPRM1CHRM2CHRM3HSD11B1UBE2M
SCHEMBL948386 0.77 OPRM1 (0.39) OPRM1CHRM2CHRM3CHRM4BCHE
SCHEMBL948315 0.76 OPRM1 (0.49) OPRM1CHRM2CHRM3HSD11B1UBE2M
SCHEMBL949892 0.75 OPRM1 (0.46) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL13167708 0.74 LMNA (0.46) OPRM1CHRM2CHRM3HSD11B1UBE2M
SCHEMBL6014982 0.74 OPRM1 (0.47) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL16054269 0.73 OPRM1 (0.59) OPRM1CHRM2CHRM3HSD11B1UBE2M

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 2 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

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 OPRM1 64/4885CHRM2 576/4885CHRM3 1166/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 OPRM1 90/4885CHRM2 1002/4885CHRM3 1727/4885

“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.