SCHEMBL2722893

SCHEMBL2722893

C=CCc1ccc(C#N)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
DAO P14920 2/20 0.43
XDH P47989 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH2 P05091 1/20 0.42
GAA P10253 1/20 0.42
GABRA1 P14867 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GABRB2 P47870 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL2656097 0.86 XDH (0.43) TRPV4XDHALDH1A1PPARGPPARD
SCHEMBL2724753 0.84 TRPV4 (0.53) TRPV4DAOMAOAMAOBCYP11B1
SCHEMBL2641095 0.83 ALDH1A1 (0.47) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL2164753 0.80 XDH (0.44) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL2538950 0.79 TRPV4 (0.57) TRPV4DAOMAOAMAOBCYP11B1
SCHEMBL24872449 0.79 TRPV4 (0.61) TRPV4DAOMAOAMAOBCYP11B1
SCHEMBL8767378 0.79 CYP11B1 (0.48) MAPTMEN1GAAGABRA1CNR1
SCHEMBL11623855 0.79 XDH (0.43) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL4549472 0.79 TRPV4 (0.47) TRPV4XDHALDH1A1PPARGPPARD
SCHEMBL1739243 0.79 ALDH1A1 (0.43) XDHALDH1A1PPARGPPARDMAPT

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 14 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
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
EP-2632464-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
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO 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 (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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TRPV4 384/4885DAO 2965/4885XDH 1680/4885
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 TRPV4 426/4885DAO 2967/4885XDH 1800/4885

“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.