SCHEMBL1508079

SCHEMBL1508079

CC(C)CC(C#N)(c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.39
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TBXA2R P21731 1/20 0.34
CCKBR P32239 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL1508141 0.85 CYP2D6 (0.42) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL1507926 0.79 KCNN4 (0.41) KCNN4CYP2D6KCNE1KCNQ1DRD2
SCHEMBL1508045 0.78 KCNN4 (0.40) KCNN4CYP2D6KCNE1KCNQ1DRD2
SCHEMBL1507937 0.78 KCNN4 (0.38) KCNN4CYP2D6CYP2C19KCNE1KCNQ1
SCHEMBL1508139 0.77 CYP2D6 (0.41) KCNN4CYP2D6CYP3A4CYP2C19DRD2
SCHEMBL1508072 0.76 KCNN4 (0.43) KCNN4CYP2D6CYP3A4KCNE1KCNQ1
SCHEMBL1508224 0.73 KCNN4 (0.42) KCNN4CYP3A4CYP2C19KCNE1KCNQ1
SCHEMBL1444191 0.73 KCNN4 (0.49) KCNN4CYP3A4CYP2C19KCNE1KCNQ1
SCHEMBL18016870 0.70 ESR1 (0.41) GAACTSLRAB9A
SCHEMBL1443478 0.70 KCNN4 (0.51) KCNN4CYP2D6CYP3A4CYP2C19KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911740-A1 POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2008-04-16 EP claimed
US-20070161607-A1 Potassium channel modulators SANIONA A/S (DK) 2007-07-12 US claimed
US-7208527-B2 Potassium channel modulators POSEIDON PHARMACEUTICALS A/S (DK) 2007-04-24 US claimed
US-20050009816-A1 Potassium channel modulators SANIONA A/S (DK) 2005-01-13 US claimed
EP-1465863-A1 POTASSIUM CHANNEL MODULATORS Poseidon Pharmaceuticals A/S (DK) 2004-10-13 EP claimed
WO-2003059873-A1 POTASSIUM CHANNEL MODULATORS POSEIDON PHARMACEUTICALS A/S (DK) 2003-07-24 WO claimed
EP-2292595-A1 Potassium channel modulators NeuroSearch AS (DK) 2011-03-09 EP disclosed
US-7429618-B2 Potassium channel modulators NEUROSEARCH A/S (DK) 2008-09-30 US disclosed
US-7429618-B2 Potassium channel modulators NEUROSEARCH A/S (DK) 2008-09-30 US disclosed
US-7429618-B2 Potassium channel modulators NEUROSEARCH A/S (DK) 2008-09-30 US disclosed
EP-1911740-A1 POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2008-04-16 EP disclosed
US-20070161607-A1 Potassium channel modulators SANIONA A/S (DK) 2007-07-12 US disclosed
US-20070161607-A1 Potassium channel modulators SANIONA A/S (DK) 2007-07-12 US disclosed
US-20070161607-A1 Potassium channel modulators SANIONA A/S (DK) 2007-07-12 US disclosed
US-7208527-B2 Potassium channel modulators POSEIDON PHARMACEUTICALS A/S (DK) 2007-04-24 US disclosed
US-7208527-B2 Potassium channel modulators POSEIDON PHARMACEUTICALS A/S (DK) 2007-04-24 US disclosed
US-7208527-B2 Potassium channel modulators POSEIDON PHARMACEUTICALS A/S (DK) 2007-04-24 US disclosed
US-20050009816-A1 Potassium channel modulators SANIONA A/S (DK) 2005-01-13 US disclosed
EP-1465863-A1 POTASSIUM CHANNEL MODULATORS Poseidon Pharmaceuticals A/S (DK) 2004-10-13 EP disclosed
WO-2003059873-A1 POTASSIUM CHANNEL MODULATORS POSEIDON PHARMACEUTICALS A/S (DK) 2003-07-24 WO 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 (2 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-20050009816-A1 Potassium channel modulators KCNC1, KCNQ1, KCNA1 KCNN4 48/4885CYP2D6 2770/4885CYP3A4 2918/4885
US-20070161607-A1 Potassium channel modulators KCNC1, KCNQ1, KCNA1 KCNN4 48/4885CYP2D6 2770/4885CYP3A4 2918/4885

“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.