SCHEMBL948506

SCHEMBL948506

CC(C)(C)[Si](C)(C)OCc1ncc2n1C(=O)N(C1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.42
CHRM2 P08172 6/20 0.42
DRD2 P14416 5/20 0.39
DRD4 P21917 5/20 0.39
DRD3 P35462 5/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
CCR8 P51685 1/20 0.38
FAAH O00519 1/20 0.37
CCR5 P51681 3/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
HPN P05981 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HGFAC Q04756 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37

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
SCHEMBL949320 0.84 CHRM3 (0.41) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL949363 0.84 F10 (0.42) F2F10
SCHEMBL949180 0.82 F10 (0.49) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL947564 0.82 CHRM2 (0.45) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL947603 0.81 F10 (0.33) F2F10
SCHEMBL948780 0.81 ACHE (0.43) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL3448635 0.80 F10 (0.37) F2F10
SCHEMBL949174 0.80 CHRM2 (0.49) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL950492 0.80 TP53 (0.40) RECQLFAAHF2F10
SCHEMBL947325 0.79 CHRM2 (0.40) CHRM3CHRM2SMN1; SMN2OPRM1OPRL1

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 6 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
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 (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 CHRM3 1166/4885CHRM2 576/4885DRD2 77/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CHRM3 1727/4885CHRM2 1002/4885DRD2 227/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CHRM3 2902/4885CHRM2 855/4885DRD2 1837/4885

“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.