SCHEMBL2882630

SCHEMBL2882630

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccc4nc(C)c(C)n4c3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.52
KCNH2 Q12809 5/20 0.52
ALDH1A1 P00352 1/20 0.37
TLR9 Q9NR96 4/20 0.36
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
PIK3CA P42336 2/20 0.36
PRKAA2 P54646 2/20 0.36
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
GLP1R P43220 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
SLC2A1 P11166 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
SCHEMBL2882629 1.00 MCHR1 (0.52) MCHR1KCNH2ALDH1A1TLR9TLR8
SCHEMBL2882976 0.89 MCHR1 (0.53) MCHR1KCNH2ALDH1A1TLR9TLR8
SCHEMBL2882979 0.89 MCHR1 (0.53) MCHR1KCNH2ALDH1A1TLR9TLR8
SCHEMBL2882832 0.85 MCHR1 (0.54) MCHR1KCNH2ALDH1A1PIK3CAPRKAA2
SCHEMBL2880553 0.85 MCHR1 (0.54) MCHR1KCNH2ALDH1A1TLR9TLR8
SCHEMBL2880555 0.85 MCHR1 (0.54) MCHR1KCNH2ALDH1A1TLR9TLR8
SCHEMBL2882836 0.85 MCHR1 (0.54) MCHR1KCNH2ALDH1A1PIK3CAPRKAA2
SCHEMBL1426876 0.85 MCHR1 (0.50) MCHR1KCNH2
SCHEMBL1426879 0.85 MCHR1 (0.50) MCHR1KCNH2
SCHEMBL2883834 0.84 MCHR1 (0.55) MCHR1KCNH2ALDH1A1PIK3CAPRKAA2

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 565/4885ALDH1A1 1234/4885

“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.