SCHEMBL4549472

SCHEMBL4549472

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.47
XDH P47989 1/20 0.43
ALDH1A1 P00352 5/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH2 P05091 1/20 0.42
GABRA1 P14867 1/20 0.42
AKR1B1 P15121 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
MAOB P27338 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
SCHEMBL2723016 0.84 TRPV4 (0.48) TRPV4MAOAMAOBADRA1DNOS3
SCHEMBL2641095 0.83 ALDH1A1 (0.47) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL2164753 0.80 XDH (0.44) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL7787351 0.79 TRPV4 (0.55) TRPV4MAOAMAOBADRA1DCYP3A4
SCHEMBL2722893 0.79 TRPV4 (0.52) TRPV4XDHALDH1A1PPARGPPARD
SCHEMBL1739243 0.79 ALDH1A1 (0.43) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL11623855 0.79 XDH (0.43) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL11811295 0.79 XDH (0.43) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL11043517 0.77 IDO1 (0.52) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL30271269 0.77 IDO1 (0.52) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771005-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-05-18 EP 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
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2771005-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2013062892-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2012058134-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 384/4885XDH 1680/4885ALDH1A1 1549/4885
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TRPV4 176/4885XDH 2230/4885ALDH1A1 1861/4885

“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.