SCHEMBL3703281

SCHEMBL3703281

O=C(CC1CC2CCC1C2)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.73
KCNQ2 O43526 13/20 0.73
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
PDE2A O00408 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3703106 0.86 KCNQ3 (0.58) KCNQ3KCNQ2ALDH1A1MAPTHTT
SCHEMBL3705354 0.85 KCNQ3 (0.53) KCNQ3KCNQ2EPHX2ALDH1A1MAPT
SCHEMBL3707698 0.83 KCNQ3 (0.69) KCNQ3KCNQ2EPHX2PDE2A
SCHEMBL3707697 0.83 KCNQ3 (0.69) KCNQ3KCNQ2EPHX2PDE2A
SCHEMBL3710588 0.81 KCNQ3 (0.69) KCNQ3KCNQ2ALDH1A1
SCHEMBL3698128 0.80 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1HTTPDE2A
SCHEMBL3703662 0.79 KCNQ3 (1.00) KCNQ3KCNQ2RAB9APDE2ATDP1
SCHEMBL3704451 0.78 KCNQ3 (0.74) KCNQ3KCNQ2ALDH1A1MAPTRAB9A
SCHEMBL3705767 0.77 ALDH1A1 (0.45) KCNQ3KCNQ2ALDH1A1MAPTHTT
SCHEMBL3712462 0.77 KCNQ3 (0.72) KCNQ3KCNQ2

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 4 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
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
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 2/4885EPHX2 3661/4885

“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.