SCHEMBL949892

SCHEMBL949892

C[Si](C)(C)CCOCn1cc(CN(C(=O)O)C2CCN(Cc3ccccc3)CC2)nc1C=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
CHRM2 P08172 2/20 0.45
CHRM3 P20309 2/20 0.45
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
SIGMAR1 Q99720 5/20 0.40
DRD2 P14416 4/20 0.40
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
LMNA P02545 2/20 0.38
SLC2A1 P11166 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL948539 0.91 OPRM1 (0.41) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6014982 0.87 OPRM1 (0.47) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL3448469 0.82 OPRM1 (0.48) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL948540 0.81 OPRM1 (0.37) OPRM1CHRM2CHRM3SIGMAR1DRD2
SCHEMBL949665 0.80 UBE2M (0.42) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6219594 0.78 CHRM2 (0.50) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL948385 0.75 OPRM1 (0.42) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL949384 0.72 UBE2M (0.47) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL949666 0.70 OPRM1 (0.37) OPRM1CHRM2CHRM3SIGMAR1DRD2
SCHEMBL19780512 0.69 DGAT1 (0.60) LMNAALDH1A1

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 5 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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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-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.