SCHEMBL7602483

SCHEMBL7602483

CCOC(=O)C(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
MAPT P10636 10/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 4/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1645438 0.91 MAPT (0.51) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL7499244 0.90 CYP2C19 (0.53) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL9375643 0.86 CYP2C19 (0.48) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL2732414 0.85 MAPT (0.48) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL27958738 0.84 MAPT (0.42) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL1403468 0.81 CYP2C19 (0.55) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL21633002 0.80 MAPT (0.41) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL14668359 0.79 MAPT (0.49) CYP2C19MAPTRAB9ANPC1KDM4E
SCHEMBL15018088 0.79 LMNA (0.43) MAPTLMNAKMT2ACRHBPCRHR2
SCHEMBL16522671 0.78 KMT2A (0.47) CYP2C19MAPTRAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790511-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
EP-2790511-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-10-22 EP disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 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 (4 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 CYP2C19 107/4885MAPT 3928/4885RAB9A 418/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 CYP2C19 202/4885MAPT 4293/4885RAB9A 610/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CYP2C19 3173/4885MAPT 4115/4885RAB9A 1764/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 CYP2C19 262/4885MAPT 3478/4885RAB9A 258/4885

“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.