SCHEMBL5808692

SCHEMBL5808692

CCC#Cn1c(N2CCNCC2)nc2cnn(Cc3ccc(C(=O)OC)cn3)c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.41
CHRM1 P11229 4/20 0.41
CRBN Q96SW2 3/20 0.34
TLR7 Q9NYK1 1/20 0.33
SYK P43405 1/20 0.33
MRGPRX1 Q96LB2 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
DDB1 Q16531 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
OPRD1 P41143 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL5354935 0.86 DPP4 (0.47) DPP4CHRM1TLR7
SCHEMBL2959364 0.86 DPP4 (0.58) DPP4CHRM1
SCHEMBL5359364 0.82 DPP4 (0.49) DPP4CHRM1
SCHEMBL5360456 0.78 DPP4 (0.46) DPP4CHRM1
SCHEMBL13217440 0.78 ITGB3 (0.37) CRBNSYKMRGPRX1HTR2AHTR2C
SCHEMBL5358065 0.78 DPP4 (0.47) DPP4CHRM1
SCHEMBL5359407 0.77 DPP4 (0.45) DPP4CHRM1TLR7
SCHEMBL5359244 0.77 DPP4 (0.44) DPP4CHRM1TLR7MRGPRX1
SCHEMBL13217482 0.76 DPP4 (0.46) DPP4CHRM1SYKMRGPRX1HTR2A
SCHEMBL5360445 0.76 DPP4 (0.47) DPP4CHRM1MRGPRX1HTR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 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 (1 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-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885CRBN 381/4885

“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.