SCHEMBL3707698

SCHEMBL3707698

CC1(C)[C@H]2CC[C@@H](CC(=O)Nc3nn4cccnc4c3-c3ccc(OC(F)(F)F)cc3)[C@H]1C2

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.69
KCNQ2 O43526 14/20 0.69
PDE2A O00408 1/20 0.37
CNR2 P34972 1/20 0.35
P2RY1 P47900 2/20 0.35
S1PR1 P21453 1/20 0.34
KCNH2 Q12809 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL3707697 1.00 KCNQ3 (0.69) KCNQ3KCNQ2PDE2ACNR2P2RY1
SCHEMBL3703281 0.83 KCNQ3 (0.73) KCNQ3KCNQ2PDE2AEPHX2
SCHEMBL3703662 0.80 KCNQ3 (1.00) KCNQ3KCNQ2PDE2A
SCHEMBL3706506 0.79 KCNQ3 (0.43) KCNQ3KCNQ2CNR2EPHX2
SCHEMBL3706505 0.79 KCNQ3 (0.43) KCNQ3KCNQ2CNR2EPHX2
SCHEMBL3710588 0.78 KCNQ3 (0.69) KCNQ3KCNQ2
SCHEMBL3698128 0.78 KCNQ3 (1.00) KCNQ3KCNQ2PDE2A
SCHEMBL3704451 0.76 KCNQ3 (0.74) KCNQ3KCNQ2PDE2A
SCHEMBL3712462 0.74 KCNQ3 (0.72) KCNQ3KCNQ2
SCHEMBL3710258 0.73 KCNQ3 (0.70) KCNQ3KCNQ2PDE2A

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 2/4885PDE2A 872/4885

“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.