SCHEMBL2882072

SCHEMBL2882072

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3cncc(C#N)c3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.54
KCNH2 Q12809 3/20 0.54
PRKAA2 P54646 14/20 0.38
PRKAB2 O43741 10/20 0.38
PRKAG1 P54619 10/20 0.38
PRKAA1 Q13131 10/20 0.38
PRKAG3 Q9UGI9 10/20 0.38
PRKAG2 Q9UGJ0 10/20 0.38
PRKAB1 Q9Y478 10/20 0.38
TLR7 Q9NYK1 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2882068 1.00 MCHR1 (0.54) MCHR1KCNH2PRKAA2PRKAB2PRKAG1
SCHEMBL2881933 0.89 MCHR1 (0.59) MCHR1KCNH2ALDH1A1
SCHEMBL2881936 0.89 MCHR1 (0.59) MCHR1KCNH2ALDH1A1
SCHEMBL2883697 0.88 MCHR1 (0.58) MCHR1KCNH2PRKAA2ALDH1A1
SCHEMBL2883703 0.88 MCHR1 (0.58) MCHR1KCNH2PRKAA2ALDH1A1
SCHEMBL2883287 0.86 MCHR1 (0.59) MCHR1KCNH2ALDH1A1
SCHEMBL2883286 0.86 MCHR1 (0.59) MCHR1KCNH2ALDH1A1
SCHEMBL2883335 0.85 MCHR1 (0.46) MCHR1KCNH2PRKAA2PRKAB2PRKAG1
SCHEMBL2883338 0.85 MCHR1 (0.46) MCHR1KCNH2PRKAA2PRKAB2PRKAG1
SCHEMBL2881950 0.83 MCHR1 (0.57) MCHR1KCNH2TLR7ALDH1A1

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 565/4885PRKAA2 3043/4885

“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.