SCHEMBL286459

SCHEMBL286459

COc1cc(CC(C)O)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.51
FOS P01100 1/20 0.47
TTR P02766 1/20 0.47
JUN P05412 1/20 0.47
NR3C1 P04150 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
PGR P06401 1/20 0.44
ALOX15 P16050 3/20 0.44
ALOX12 P18054 3/20 0.44
LDHA P00338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IMPDH2 P12268 1/20 0.42

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
SCHEMBL11863546 0.82 LDHA (0.52) ARFOSTTRJUNNR3C1
SCHEMBL2786569 0.80 AR (0.58) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL31572667 0.80 LDHA (0.64) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4599982 0.80 LDHA (0.64) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4598863 0.80 LDHA (0.64) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4598867 0.80 LDHA (0.64) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12188729 0.78 AR (0.55) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL11153867 0.78 ALDH1A1 (0.53) ARFOSTTRJUNNR3C1
SCHEMBL8575206 0.78 MAPK1 (0.41) ARFOSTTRJUNNR3C1
SCHEMBL286607 0.78 ALDH1A1 (0.49) ARPGRKDM4EUSP2ALDH1A1

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 12 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
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 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
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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 (3 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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2433/4885FOS 1083/4885TTR 3699/4885
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2433/4885FOS 1083/4885TTR 3699/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2433/4885FOS 1083/4885TTR 3699/4885

“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.