SCHEMBL2728294

SCHEMBL2728294

CCOC(=O)c1coc2cc(N)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 3/20 0.42
AHR P35869 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
SCHEMBL741818 0.84 CA12 (0.56) MAOBCYP1A2MAOAALDH1A1GAA
SCHEMBL914727 0.83 MAOB (0.53) MAOBLMNAALDH1A1GAAHSD17B10
SCHEMBL31661203 0.83 MAOB (0.53) MAOBLMNAALDH1A1GAASMN1; SMN2
SCHEMBL2728922 0.83 MAOB (0.53) MAOBLMNAALDH1A1GAASMN1; SMN2
SCHEMBL2317769 0.82 MAOB (0.52) MAOBLMNAMAOAALDH1A1GAA
SCHEMBL743821 0.82 ALDH1A1 (0.57) MAOBLMNACYP1A2ALDH1A1GAA
SCHEMBL26131863 0.80 MAOB (0.50) MAOBMAOAALDH1A1GAAHSD17B10
SCHEMBL5259021 0.79 MAOB (0.81) MAOBMAOAALDH1A1GAAHSD17B10
SCHEMBL14763950 0.78 MAOB (0.48) MAOBLMNAALDH1A1GAAHSD17B10
SCHEMBL26131094 0.78 MAOB (0.48) MAOBLMNAALDH1A1GAAHSD17B10

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
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-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP 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

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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 MAOB 2151/4885LMNA 1030/4885CYP1A2 3208/4885

“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.