SCHEMBL2882199

SCHEMBL2882199

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3cn(C)c4cnccc34)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.54
KCNH2 Q12809 6/20 0.54
HRH2 P25021 6/20 0.39
DRD2 P14416 2/20 0.38
SLC6A4 P31645 2/20 0.38
ALDH1A1 P00352 1/20 0.35
DRD4 P21917 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
GLP1R P43220 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
SCHEMBL2882195 1.00 MCHR1 (0.54) MCHR1KCNH2HRH2DRD2SLC6A4
SCHEMBL2883703 0.85 MCHR1 (0.58) MCHR1KCNH2ALDH1A1JAK2JAK1
SCHEMBL2883697 0.85 MCHR1 (0.58) MCHR1KCNH2ALDH1A1JAK2JAK1
SCHEMBL2881933 0.83 MCHR1 (0.59) MCHR1KCNH2DRD2ALDH1A1JAK2
SCHEMBL2881936 0.83 MCHR1 (0.59) MCHR1KCNH2DRD2ALDH1A1JAK2
SCHEMBL2881950 0.82 MCHR1 (0.57) MCHR1KCNH2HRH2DRD2ALDH1A1
SCHEMBL2881948 0.82 MCHR1 (0.57) MCHR1KCNH2HRH2DRD2ALDH1A1
SCHEMBL2883287 0.81 MCHR1 (0.59) MCHR1KCNH2HRH2DRD2ALDH1A1
SCHEMBL2883286 0.81 MCHR1 (0.59) MCHR1KCNH2HRH2DRD2ALDH1A1
Hydrochloric Acid SCHEMBL2882200 0.81 MCHR1 (0.59) MCHR1KCNH2HRH2DRD2ALDH1A1

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 565/4885HRH2 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.