SCHEMBL4070171

SCHEMBL4070171

CN1CC2=C(CC1=O)C1(CCN(Cc3ccc(C(=NOC4CC4)c4ccc(F)c(F)c4)nc3)CC1)OC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.58
KCNH2 Q12809 11/20 0.58
ALDH1A1 P00352 1/20 0.33
SSTR5 P35346 3/20 0.32
PRKAA2 P54646 3/20 0.31
PRKAB2 O43741 2/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAG3 Q9UGI9 2/20 0.31
PRKAG2 Q9UGJ0 2/20 0.31
PRKAB1 Q9Y478 2/20 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
SCHEMBL4066968 0.92 KCNH2 (0.69) MCHR1KCNH2ALDH1A1SSTR5
SCHEMBL4067112 0.90 MCHR1 (0.61) MCHR1KCNH2SSTR5
SCHEMBL4068321 0.89 MCHR1 (0.56) MCHR1KCNH2SSTR5PRKAA2
SCHEMBL4065966 0.89 MCHR1 (0.59) MCHR1KCNH2SSTR5PRKAA2
SCHEMBL4065641 0.88 MCHR1 (0.59) MCHR1KCNH2SSTR5
SCHEMBL4075292 0.88 MCHR1 (0.59) MCHR1KCNH2SSTR5
SCHEMBL4068698 0.88 MCHR1 (0.59) MCHR1KCNH2SSTR5
SCHEMBL4072007 0.88 MCHR1 (0.57) MCHR1KCNH2SSTR5PRKAA2
SCHEMBL4065640 0.87 MCHR1 (0.57) MCHR1KCNH2SSTR5
SCHEMBL4072353 0.85 MCHR1 (0.52) MCHR1KCNH2SSTR5PRKAA2

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-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US claimed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP claimed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP 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-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 MCHR1 730/4885KCNH2 296/4885ALDH1A1 872/4885

“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.