SCHEMBL1508086

SCHEMBL1508086

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
CYP2D6 P10635 2/20 0.40
KCNA3 P22001 7/20 0.36
KCNN4 O15554 1/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR3 P51677 1/20 0.32
CYP19A1 P11511 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
SCHEMBL5441357 0.84 CCR1 (0.38) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL7090276 0.81 DRD2 (0.40) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL28481925 0.80 DRD2 (0.59) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL9721564 0.78 CCR1 (0.43) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL11278445 0.77 CYP19A1 (0.41) CCR1RAB9ACCR3CYP19A1
SCHEMBL1508075 0.76 L3MBTL1 (0.35) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL5434840 0.76 KCNN4 (0.41) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL11038705 0.74 OPRM1 (0.57) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL1508107 0.73 ATM (0.37) CCR1DRD2DRD4OPRM1DRD3
SCHEMBL1508162 0.73 MAOB (0.36) CCR1DRD2DRD4OPRM1DRD3

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 19 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-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 CCR1 4708/4885DRD2 2753/4885DRD4 2777/4885
US-20070161607-A1 Potassium channel modulators KCNC1, KCNQ1, KCNA1 CCR1 4708/4885DRD2 2753/4885DRD4 2777/4885

“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.