SCHEMBL4069448

SCHEMBL4069448

ON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.67
KCNH2 Q12809 11/20 0.67
AVPR1A P37288 2/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4069441 1.00 MCHR1 (0.67) MCHR1KCNH2AVPR1ASIGMAR1
SCHEMBL1000579 0.91 MCHR1 (0.62) MCHR1KCNH2AVPR1A
SCHEMBL1000581 0.91 MCHR1 (0.62) MCHR1KCNH2AVPR1A
SCHEMBL1003090 0.91 MCHR1 (0.62) MCHR1KCNH2AVPR1A
SCHEMBL4075971 0.89 MCHR1 (0.70) MCHR1KCNH2AVPR1A
SCHEMBL4075320 0.89 MCHR1 (0.70) MCHR1KCNH2AVPR1A
SCHEMBL1003284 0.88 MCHR1 (0.66) MCHR1KCNH2AVPR1A
SCHEMBL1002045 0.88 MCHR1 (0.61) MCHR1KCNH2AVPR1A
SCHEMBL1002046 0.88 MCHR1 (0.61) MCHR1KCNH2AVPR1A
SCHEMBL1002878 0.87 MCHR1 (0.70) MCHR1KCNH2AVPR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 296/4885AVPR1A 364/4885

“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.