SCHEMBL1508141

SCHEMBL1508141

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
CTSL P07711 7/20 0.35
CCR1 P32246 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL1508139 0.88 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL1508079 0.85 KCNN4 (0.39) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL11036188 0.80 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL18016870 0.80 ESR1 (0.41) CTSLKDM4EALDH1A1GAAHPGD
SCHEMBL1508075 0.75 L3MBTL1 (0.35) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL5441357 0.75 CCR1 (0.38) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL12833762 0.72 MAOA (0.42) ALDH1A1HPGDTRPA1MAOAMAOB
SCHEMBL18016868 0.72
SCHEMBL1507914 0.72 CYP3A4 (0.41) CYP2D6CYP3A4CTSLALDH1A1AR
SCHEMBL1508086 0.72 CCR1 (0.42) CYP2D6CYP3A4CYP2C19DRD2DRD4

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 CYP2D6 2770/4885CYP3A4 2918/4885CYP2C19 4308/4885
US-20070161607-A1 Potassium channel modulators KCNC1, KCNQ1, KCNA1 CYP2D6 2770/4885CYP3A4 2918/4885CYP2C19 4308/4885

“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.