SCHEMBL2880555

SCHEMBL2880555

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccc4ncnn4c3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.54
KCNH2 Q12809 4/20 0.54
TLR8 Q9NR97 13/20 0.41
TLR7 Q9NYK1 13/20 0.41
TLR9 Q9NR96 12/20 0.41
ALDH1A1 P00352 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL2880553 1.00 MCHR1 (0.54) MCHR1KCNH2TLR8TLR7TLR9
SCHEMBL2881936 0.87 MCHR1 (0.59) MCHR1KCNH2ALDH1A1
SCHEMBL2881933 0.87 MCHR1 (0.59) MCHR1KCNH2ALDH1A1
SCHEMBL2881948 0.87 MCHR1 (0.57) MCHR1KCNH2TLR8TLR7TLR9
SCHEMBL2881950 0.87 MCHR1 (0.57) MCHR1KCNH2TLR8TLR7TLR9
SCHEMBL2882832 0.86 MCHR1 (0.54) MCHR1KCNH2ALDH1A1
SCHEMBL2882836 0.86 MCHR1 (0.54) MCHR1KCNH2ALDH1A1
SCHEMBL2882979 0.86 MCHR1 (0.53) MCHR1KCNH2TLR8TLR7TLR9
SCHEMBL2882976 0.86 MCHR1 (0.53) MCHR1KCNH2TLR8TLR7TLR9
SCHEMBL2883834 0.86 MCHR1 (0.55) MCHR1KCNH2ALDH1A1

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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 MCHR1 2/4885KCNH2 565/4885TLR8 640/4885

“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.