SCHEMBL949180

SCHEMBL949180

O=C1N(C2CCN(Cc3ccccc3)CC2)Cc2cnc(CO)n21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
F2 P00734 3/20 0.49
CHRM2 P08172 6/20 0.47
CHRM3 P20309 6/20 0.47
FAAH O00519 1/20 0.42
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
DRD3 P35462 4/20 0.42
ACHE P22303 1/20 0.42
CCR5 P51681 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL947564 0.86 CHRM2 (0.45) F10F2CHRM2CHRM3DRD2
SCHEMBL949174 0.84 CHRM2 (0.49) F10F2CHRM2CHRM3DRD2
SCHEMBL948780 0.83 ACHE (0.43) F10F2CHRM2CHRM3FAAH
SCHEMBL948506 0.82 CHRM3 (0.42) F10F2CHRM2CHRM3FAAH
SCHEMBL950090 0.82 RECQL (0.45) F10F2CHRM2CHRM3DRD2
SCHEMBL947325 0.82 CHRM2 (0.40) CHRM2CHRM3ACHECCR5SMN1; SMN2
SCHEMBL949320 0.81 CHRM3 (0.41) F10F2CHRM2CHRM3FAAH
SCHEMBL949956 0.79 CHRM3 (0.48) F10F2CHRM2CHRM3DRD2
SCHEMBL947735 0.73 SMN1; SMN2 (0.48) F10F2SMN1; SMN2
SCHEMBL947633 0.72 F10 (0.50) F10F2

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 F10 545/4885F2 2/4885CHRM2 576/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F10 490/4885F2 1/4885CHRM2 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.