SCHEMBL1426396

SCHEMBL1426396

CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccc(F)cc2)C3)cn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
MCHR1 Q99705 6/20 0.57
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
SSTR5 P35346 8/20 0.35
PTGDR Q13258 2/20 0.35
PRKAA2 P54646 4/20 0.34
MAPT P10636 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
SCHEMBL1426400 1.00 KCNH2 (0.57) KCNH2MCHR1PARP1PARP2SSTR5
SCHEMBL1426562 0.93 MCHR1 (0.57) KCNH2MCHR1PARP1PARP2SSTR5
SCHEMBL1426560 0.93 MCHR1 (0.57) KCNH2MCHR1PARP1PARP2SSTR5
SCHEMBL1426232 0.92 MCHR1 (0.56) KCNH2MCHR1PARP1PARP2
SCHEMBL1426235 0.92 MCHR1 (0.56) KCNH2MCHR1PARP1PARP2
SCHEMBL1426778 0.92 MCHR1 (0.59) KCNH2MCHR1PARP1PARP2SSTR5
SCHEMBL1426780 0.92 MCHR1 (0.59) KCNH2MCHR1PARP1PARP2SSTR5
SCHEMBL1426242 0.91 MCHR1 (0.54) KCNH2MCHR1PARP1PARP2PRKAA2
SCHEMBL1426244 0.91 MCHR1 (0.54) KCNH2MCHR1PARP1PARP2PRKAA2
SCHEMBL1426332 0.91 MCHR1 (0.55) KCNH2MCHR1PARP1PARP2

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 KCNH2 499/4885MCHR1 2/4885PARP1 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.