SCHEMBL1243088

SCHEMBL1243088

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCC[C@H]2C(=O)NC2CCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.40
KCNA5 P22460 2/20 0.40
MGLL Q99685 2/20 0.40
HSD11B1 P28845 1/20 0.39
VNN1 O95497 1/20 0.38
THRB P10828 1/20 0.38
GRM5 P41594 2/20 0.37
TSHR P16473 2/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
FKBP1A P62942 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL1243084 1.00 ACKR3 (0.40) ACKR3KCNA5MGLLHSD11B1VNN1
SCHEMBL1242553 0.98 ACKR3 (0.41) ACKR3KCNA5MGLLHSD11B1VNN1
SCHEMBL1242550 0.98 ACKR3 (0.41) ACKR3KCNA5MGLLHSD11B1VNN1
SCHEMBL1241027 0.97 ACKR3 (0.43) ACKR3KCNA5MGLLHSD11B1VNN1
SCHEMBL1241023 0.97 ACKR3 (0.43) ACKR3KCNA5MGLLHSD11B1VNN1
SCHEMBL1243238 0.89 KCNA5 (0.43) KCNA5MGLLHSD11B1VNN1THRB
SCHEMBL1243234 0.89 KCNA5 (0.43) KCNA5MGLLHSD11B1VNN1THRB
SCHEMBL1240765 0.88 KCNA5 (0.42) KCNA5MGLLHSD11B1VNN1THRB
SCHEMBL1240768 0.88 KCNA5 (0.42) KCNA5MGLLHSD11B1VNN1THRB
SCHEMBL1243551 0.87 THRB (0.45) KCNA5MGLLVNN1THRBALDH1A1

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 3862/4885KCNA5 11/4885MGLL 1647/4885

“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.