SCHEMBL3707486

SCHEMBL3707486

O=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 16/20 1.00
KCNQ2 O43526 16/20 1.00
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3704312 0.99 KCNQ3 (0.98) KCNQ3KCNQ2ALDH1A1CYP3A4CYP2D6
SCHEMBL3695317 0.90 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1
SCHEMBL3714782 0.90 KCNQ3 (0.82) KCNQ3KCNQ2ALDH1A1
SCHEMBL3704730 0.90 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1
SCHEMBL3701791 0.90 KCNQ3 (0.81) KCNQ3KCNQ2ALDH1A1TSHR
SCHEMBL3703709 0.89 KCNQ3 (0.84) KCNQ3KCNQ2ALDH1A1
SCHEMBL3698128 0.88 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1
SCHEMBL3697317 0.86 KCNQ3 (0.77) KCNQ3KCNQ2ALDH1A1TSHR
SCHEMBL3710458 0.85 KCNQ3 (0.80) KCNQ3KCNQ2ALDH1A1
SCHEMBL3706670 0.84 KCNQ3 (0.78) KCNQ3KCNQ2ALDH1A1

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 2/4885PTGS2 1276/4885

“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.