SCHEMBL2725940

SCHEMBL2725940

N#Cc1ccc(CC=O)cc1OC(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
CYP2D6 P10635 8/20 0.33
SLC6A2 P23975 8/20 0.33
SLC6A4 P31645 8/20 0.33
NOS2 P35228 8/20 0.33
ADRB1 P08588 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
SCHEMBL2722701 0.87 ALDH1A1 (0.44) MAOBMAOACYP2D6SLC6A2SLC6A4
SCHEMBL5184347 0.80 PDE4A (0.43)
SCHEMBL286682 0.80 AR (0.48) MAOB
SCHEMBL2723065 0.79 KCNJ1 (0.47) FFAR1FFAR4MAOBMAOA
SCHEMBL2723321 0.78 KCNJ1 (0.48)
SCHEMBL2722907 0.77 KCNJ1 (0.46) FFAR1FFAR4
SCHEMBL3399129 0.74 PPARG (0.38)
SCHEMBL2724753 0.74 TRPV4 (0.53) MAOBMAOA
SCHEMBL3530578 0.74 FFAR1 (0.43) FFAR1FFAR4MAOBMAOACYP2D6
SCHEMBL5184176 0.73 ALOX15 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 FFAR1 1982/4885FFAR4 3444/4885MAOB 2314/4885

“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.