SCHEMBL3701795

SCHEMBL3701795

Cc1cnc2c(Cc3ccc(F)cc3)c(NC(=O)CC3CCCC3)nn2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.61
KCNQ2 O43526 10/20 0.61
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
DEGS1 O15121 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
NAMPT P43490 1/20 0.37
GLS O94925 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL3712508 0.90 KCNQ3 (0.61) KCNQ3KCNQ2SMN1; SMN2RAB9ANPC1
SCHEMBL3710537 0.79 PDE2A (0.46) KCNQ3KCNQ2SMN1; SMN2GAAALDH1A1
SCHEMBL3701681 0.78 KCNQ3 (0.77) KCNQ3KCNQ2NPC1
SCHEMBL3701255 0.76 KCNQ3 (0.59) KCNQ3KCNQ2SMN1; SMN2RAB9APOLB
SCHEMBL3707988 0.73 KCNQ3 (0.78) KCNQ3KCNQ2
SCHEMBL3708539 0.72 KCNQ3 (0.54) KCNQ3KCNQ2SMN1; SMN2RAB9APOLB
SCHEMBL3709168 0.72 KCNQ3 (0.60) KCNQ3KCNQ2SMN1; SMN2RAB9APOLB
SCHEMBL3701907 0.71 PTGS2 (0.42) KCNQ3KCNQ2ALDH1A1
SCHEMBL3702890 0.68 KCNQ3 (0.62) KCNQ3KCNQ2SMN1; SMN2RAB9APOLB
SCHEMBL3701833 0.67 KCNQ3 (0.61) KCNQ3KCNQ2SMN1; SMN2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US claimed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 KCNQ3 4/4885KCNQ2 2/4885SMN1; SMN2 1593/4885

“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.