SCHEMBL2880546

SCHEMBL2880546

COc1cccc(C2CCN(Cc3ccc(/C(=N/OCCF)c4ccc(F)c(F)c4)cc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 17/20 0.41
KCNH2 Q12809 3/20 0.41
MCHR1 Q99705 2/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL2880549 1.00 GLP1R (0.41) GLP1RKCNH2MCHR1HTR1ADRD2
SCHEMBL2884090 0.90 MCHR1 (0.43) GLP1RKCNH2MCHR1HTR1ADRD2
SCHEMBL2884088 0.90 MCHR1 (0.43) GLP1RKCNH2MCHR1HTR1ADRD2
SCHEMBL2878480 0.82 MCHR1 (0.46) KCNH2MCHR1DRD2
SCHEMBL2878478 0.82 MCHR1 (0.46) KCNH2MCHR1DRD2
SCHEMBL2877692 0.81 MCHR1 (0.45) KCNH2MCHR1DRD2DRD4
SCHEMBL2877695 0.81 MCHR1 (0.45) KCNH2MCHR1DRD2DRD4
Hydrochloric Acid SCHEMBL2894858 0.79 MCHR1 (0.40) KCNH2MCHR1DRD2DRD4
Hydrochloric Acid SCHEMBL2894863 0.79 MCHR1 (0.40) KCNH2MCHR1DRD2DRD4
SCHEMBL2893041 0.78 MCHR1 (0.39) KCNH2MCHR1DRD2DRD4

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 GLP1R 136/4885KCNH2 565/4885MCHR1 2/4885

“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.