SCHEMBL4074122

SCHEMBL4074122

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCC2=C3CC(=O)N(CC)C2)cn1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.66
MCHR1 Q99705 12/20 0.66
SSTR5 P35346 6/20 0.33
PTGDR Q13258 2/20 0.33
ALDH1A1 P00352 1/20 0.30

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) KCNH2MCHR1SSTR5PTGDRALDH1A1
SCHEMBL4073563 0.87 MCHR1 (0.68) KCNH2MCHR1SSTR5ALDH1A1
SCHEMBL4067112 0.87 MCHR1 (0.61) KCNH2MCHR1SSTR5
SCHEMBL4065966 0.86 MCHR1 (0.59) KCNH2MCHR1SSTR5
SCHEMBL4075292 0.85 MCHR1 (0.59) KCNH2MCHR1SSTR5
SCHEMBL4068698 0.85 MCHR1 (0.59) KCNH2MCHR1SSTR5
SCHEMBL4065641 0.85 MCHR1 (0.59) KCNH2MCHR1SSTR5
SCHEMBL4072007 0.85 MCHR1 (0.57) KCNH2MCHR1SSTR5
SCHEMBL4070171 0.84 MCHR1 (0.58) KCNH2MCHR1SSTR5ALDH1A1
SCHEMBL4065640 0.83 MCHR1 (0.57) KCNH2MCHR1SSTR5

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-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 KCNH2 296/4885MCHR1 730/4885SSTR5 1891/4885

“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.