SCHEMBL2877440

SCHEMBL2877440

CC(C)(O)CO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3cnn4ncccc34)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.45
KCNH2 Q12809 5/20 0.45
HRH2 P25021 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
DRD4 P21917 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
DRD2 P14416 2/20 0.32
ADRA1A P35348 2/20 0.32
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
GLP1R P43220 1/20 0.31
ACKR3 P25106 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL2877441 1.00 MCHR1 (0.45) MCHR1KCNH2HRH2JAK2JAK1
SCHEMBL2880418 0.81 MCHR1 (0.52) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2880417 0.81 MCHR1 (0.52) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883287 0.75 MCHR1 (0.59) MCHR1KCNH2HRH2DRD4DRD2
SCHEMBL2883286 0.75 MCHR1 (0.59) MCHR1KCNH2HRH2DRD4DRD2
SCHEMBL2883697 0.75 MCHR1 (0.58) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883703 0.75 MCHR1 (0.58) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2880672 0.74 MCHR1 (0.57) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2880674 0.74 MCHR1 (0.57) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2882199 0.74 MCHR1 (0.54) MCHR1KCNH2HRH2JAK2JAK1

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 4 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
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
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 565/4885HRH2 121/4885

“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.