SCHEMBL297074

SCHEMBL297074

N#Cc1c(F)ccc2c1CCC2CO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.36
ADRA2B P18089 4/20 0.36
ADRA2C P18825 4/20 0.36
ADRA1D P25100 4/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1B P35368 4/20 0.36
KDM4E B2RXH2 2/20 0.35
NOTUM Q6P988 1/20 0.34
STS P08842 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX7 Q99572 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL2732515 0.79 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2731620 0.76 DRD2 (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2733423 0.74 KDM4E (0.35) KDM4ENOTUMSTSHSD11B1ALDH1A1
SCHEMBL14895720 0.74 NOTUM (0.33) NOTUM
SCHEMBL14895719 0.74 NOTUM (0.33) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14896137 0.71 HTR2C (0.33) KDM4EHSD11B1
SCHEMBL23987304 0.70 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29673168 0.68 HTR2A (0.38) ESR1ESR2CYP11B1CYP11B2
SCHEMBL24542984 0.68 HTR2A (0.38) ESR1ESR2CYP11B1CYP11B2
SCHEMBL1337594 0.67 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 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-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
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
CN-102459216-A Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2012-05-16 CN 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ADRA2A 611/4885ADRA2B 506/4885ADRA2C 593/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ADRA2A 732/4885ADRA2B 576/4885ADRA2C 651/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ADRA2A 732/4885ADRA2B 576/4885ADRA2C 651/4885

“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.