SCHEMBL948540

SCHEMBL948540

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
CHRM2 P08172 7/20 0.35
CHRM3 P20309 7/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM4 P08173 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL949666 0.89 OPRM1 (0.37) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL948386 0.83 OPRM1 (0.39) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL949892 0.81 OPRM1 (0.46) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL949385 0.80 SIGMAR1 (0.41) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL948539 0.79 OPRM1 (0.41) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL948316 0.71 OPRM1 (0.46) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL6014982 0.70 OPRM1 (0.47) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL949904 0.70 OPRM1 (0.42) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL947328 0.70 OPRM1 (0.43) OPRM1SIGMAR1CHRM2CHRM3DRD2
SCHEMBL949606 0.69 OPRM1 (0.39) OPRM1SIGMAR1CHRM2CHRM3ALDH1A1

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 64/4885SIGMAR1 203/4885CHRM2 576/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 OPRM1 90/4885SIGMAR1 338/4885CHRM2 1002/4885

“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.