SCHEMBL4066849

SCHEMBL4066849

O=C(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 1.00
KCNH2 Q12809 11/20 1.00
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 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
SCHEMBL13664928 0.92 MCHR1 (0.84) MCHR1KCNH2SIGMAR1
SCHEMBL13664927 0.91 MCHR1 (0.84) MCHR1KCNH2SIGMAR1
SCHEMBL4075336 0.91 MCHR1 (0.83) MCHR1KCNH2
SCHEMBL13664926 0.89 MCHR1 (0.80) MCHR1KCNH2
SCHEMBL13664941 0.89 MCHR1 (0.79) MCHR1KCNH2ACHE
SCHEMBL4071336 0.88 MCHR1 (0.85) MCHR1KCNH2SIGMAR1
SCHEMBL4075301 0.87 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL4069144 0.87 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL4069151 0.87 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL1002597 0.87 MCHR1 (0.77) MCHR1KCNH2SIGMAR1

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 MCHR1 730/4885KCNH2 296/4885SIGMAR1 1623/4885

“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.