SCHEMBL948780

SCHEMBL948780

CN(C)C(=O)OCc1ncc2n1C(=O)N(C1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
BCHE P06276 1/20 0.43
CCR5 P51681 3/20 0.41
CHRM2 P08172 4/20 0.41
CHRM3 P20309 4/20 0.41
FKBP1A P62942 1/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
FAAH O00519 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HGFAC Q04756 1/20 0.38
ST14 Q9Y5Y6 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
SCHEMBL947325 0.86 CHRM2 (0.40) ACHEBCHECCR5CHRM2CHRM3
SCHEMBL947564 0.85 CHRM2 (0.45) ACHECCR5CHRM2CHRM3F2
SCHEMBL949180 0.83 F10 (0.49) ACHECCR5CHRM2CHRM3F2
SCHEMBL950873 0.82 F10 (0.35) F2F10
SCHEMBL948506 0.81 CHRM3 (0.42) CCR5CHRM2CHRM3F2F10
SCHEMBL950090 0.81 RECQL (0.45) CCR5CHRM2CHRM3F2F10
SCHEMBL949320 0.80 CHRM3 (0.41) CCR5CHRM2CHRM3F2F10
SCHEMBL949174 0.79 CHRM2 (0.49) CHRM2CHRM3F2F10DRD2
SCHEMBL947735 0.76 SMN1; SMN2 (0.48) F2F10
SCHEMBL950010 0.75 F2 (0.49) FKBP1AF2F10FAAH

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 3 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
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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ACHE 4043/4885BCHE 2044/4885CCR5 1099/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ACHE 4187/4885BCHE 2350/4885CCR5 870/4885

“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.