SCHEMBL1241027

SCHEMBL1241027

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCC[C@H]2C(=O)NC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.43
TSHR P16473 2/20 0.40
GFER P55789 1/20 0.40
KCNA5 P22460 2/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FKBP1A P62942 2/20 0.39
HSD11B1 P28845 1/20 0.38
VNN1 O95497 1/20 0.38
EPHX2 P34913 1/20 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
SCHEMBL1241023 1.00 ACKR3 (0.43) ACKR3TSHRGFERKCNA5MGLL
SCHEMBL1242553 0.99 ACKR3 (0.41) ACKR3TSHRGFERKCNA5MGLL
SCHEMBL1242550 0.99 ACKR3 (0.41) ACKR3TSHRGFERKCNA5MGLL
SCHEMBL1243088 0.97 ACKR3 (0.40) ACKR3TSHRGFERKCNA5MGLL
SCHEMBL1243084 0.97 ACKR3 (0.40) ACKR3TSHRGFERKCNA5MGLL
SCHEMBL1243234 0.89 KCNA5 (0.43) KCNA5MGLLHSD11B1VNN1
SCHEMBL1243238 0.89 KCNA5 (0.43) KCNA5MGLLHSD11B1VNN1
SCHEMBL1240765 0.87 KCNA5 (0.42) KCNA5MGLLALDH1A1FKBP1AHSD11B1
SCHEMBL1240768 0.87 KCNA5 (0.42) KCNA5MGLLALDH1A1FKBP1AHSD11B1
SCHEMBL1243551 0.86 THRB (0.45) KCNA5MGLLALDH1A1CYP3A4VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP claimed
JP-4719745-B2 2011-07-06 JP claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ACKR3 3862/4885TSHR 2897/4885GFER 2311/4885

“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.