SCHEMBL3701255

SCHEMBL3701255

Cc1cnc2c(C(C)(C)C)c(NC(=O)CC3CCCCC3)nn2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.59
KCNQ2 O43526 9/20 0.59
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS2R8 Q9NYW2 1/20 0.41
MEN1 O00255 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
EPHX2 P34913 3/20 0.38

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
SCHEMBL3701833 0.91 KCNQ3 (0.61) KCNQ3KCNQ2NPC1RAB9AGAA
SCHEMBL3702890 0.89 KCNQ3 (0.62) KCNQ3KCNQ2NPC1RAB9AGAA
SCHEMBL3701258 0.82 KCNQ3 (0.66) KCNQ3KCNQ2MEN1ALPLPOLB
SCHEMBL3713625 0.81 KCNQ3 (0.64) KCNQ3KCNQ2NPC1RAB9AGAA
SCHEMBL3709168 0.76 KCNQ3 (0.60) KCNQ3KCNQ2NPC1RAB9AGAA
SCHEMBL3701795 0.76 KCNQ3 (0.61) KCNQ3KCNQ2NPC1RAB9AGAA
SCHEMBL3701681 0.75 KCNQ3 (0.77) KCNQ3KCNQ2NPC1
SCHEMBL3707988 0.74 KCNQ3 (0.78) KCNQ3KCNQ2
SCHEMBL3697377 0.72 KCNQ3 (0.68) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3707951 0.71 KCNQ3 (0.67) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2

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 2/4885NPC1 493/4885

“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.