SCHEMBL2880794

SCHEMBL2880794

Fc1ccc(C2CCN(Cc3cnc(C(=NOC4CC4)c4ccc(F)c(F)c4)nc3)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.40
KCNH2 Q12809 6/20 0.40
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
TLR9 Q9NR96 5/20 0.36
TLR8 Q9NR97 5/20 0.36
TLR7 Q9NYK1 5/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD4 P21917 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
DRD3 P35462 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL2880790 1.00 MCHR1 (0.40) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883291 0.79 MCHR1 (0.49) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883294 0.79 MCHR1 (0.49) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2882559 0.78 MCHR1 (0.50) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2877663 0.78 MCHR1 (0.50) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2877665 0.78 MCHR1 (0.50) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2880417 0.77 MCHR1 (0.52) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2880418 0.77 MCHR1 (0.52) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2882775 0.76 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883376 0.76 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2

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 2 patents. 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 claimed
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 565/4885JAK2 249/4885

“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.