SCHEMBL1426282

SCHEMBL1426282

CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccn4ccnc4c2)C3)cn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.52
KCNH2 Q12809 5/20 0.52
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL1426285 1.00 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426805 0.92 MCHR1 (0.44) MCHR1KCNH2PARP1PARP2
SCHEMBL1426887 0.92 MCHR1 (0.44) MCHR1KCNH2PARP1PARP2
SCHEMBL1426319 0.90 MCHR1 (0.51) MCHR1KCNH2PARP1PARP2
SCHEMBL1426318 0.90 MCHR1 (0.51) MCHR1KCNH2PARP1PARP2
SCHEMBL1426253 0.90 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426255 0.90 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL12811470 0.89 MCHR1 (0.39) MCHR1KCNH2PARP1PARP2
SCHEMBL1426896 0.89 MCHR1 (0.50) MCHR1KCNH2PARP1PARP2
SCHEMBL1426897 0.89 MCHR1 (0.50) MCHR1KCNH2PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US disclosed
WO-2009154132-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE 萬有製薬株式会社 (JP) 2009-12-23 WO 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 MCHR1 2/4885KCNH2 499/4885PARP1 4033/4885

“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.