SCHEMBL949666

SCHEMBL949666

CC(C)(C)C(c1cn(COCC[Si](C)(C)C)c(CO)n1)N(C(=O)O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
CHRM2 P08172 7/20 0.36
CHRM3 P20309 7/20 0.36
SIGMAR1 Q99720 2/20 0.35
CHRM4 P08173 2/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL948540 0.89 OPRM1 (0.37) OPRM1CHRM2CHRM3SIGMAR1CHRM4
SCHEMBL948386 0.83 OPRM1 (0.39) OPRM1CHRM2CHRM3SIGMAR1CHRM4
SCHEMBL6014982 0.81 OPRM1 (0.47) OPRM1CHRM2CHRM3SIGMAR1CHRM4
SCHEMBL949665 0.79 UBE2M (0.42) OPRM1CHRM2CHRM3SIGMAR1
SCHEMBL949904 0.74 OPRM1 (0.42) OPRM1CHRM2CHRM3SIGMAR1KCNH2
SCHEMBL949606 0.73 OPRM1 (0.39) OPRM1CHRM2CHRM3SIGMAR1CHRM4
SCHEMBL948614 0.72 ACHE (0.44) OPRM1CHRM2CHRM3SIGMAR1KCNH2
SCHEMBL948316 0.71 OPRM1 (0.46) OPRM1CHRM2CHRM3SIGMAR1CHRM4
SCHEMBL949385 0.71 SIGMAR1 (0.41) OPRM1CHRM2CHRM3SIGMAR1KCNH2
SCHEMBL948166 0.71 OPRM1 (0.39) OPRM1CHRM2CHRM3SIGMAR1KCNH2

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 4 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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 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 (3 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
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 OPRM1 320/4885CHRM2 855/4885CHRM3 2902/4885

“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.