SCHEMBL1426604

SCHEMBL1426604

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccn4cc(CC)nc4c2)C3)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.49
KCNH2 Q12809 4/20 0.49
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
MET P08581 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
TMEM97 Q5BJF2 1/20 0.30
DRD4 P21917 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
SCHEMBL1426601 1.00 MCHR1 (0.49) MCHR1KCNH2PARP1PARP2SUV39H2
SCHEMBL1426897 0.92 MCHR1 (0.50) MCHR1KCNH2PARP1PARP2SUV39H2
SCHEMBL1426896 0.92 MCHR1 (0.50) MCHR1KCNH2PARP1PARP2SUV39H2
SCHEMBL1426335 0.90 MCHR1 (0.48) MCHR1KCNH2PARP1PARP2SUV39H2
SCHEMBL1426331 0.90 MCHR1 (0.48) MCHR1KCNH2PARP1PARP2SUV39H2
SCHEMBL1426285 0.88 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426282 0.88 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426255 0.87 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426253 0.87 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426366 0.85 MCHR1 (0.51) MCHR1KCNH2PARP1PARP2MET

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
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

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.