SCHEMBL2730675

SCHEMBL2730675

CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2Br)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
KCNJ1 P48048 8/20 0.44
KCNH2 Q12809 8/20 0.44
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 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
SCHEMBL15192799 0.86 KCNJ1 (0.51) GPR119KCNJ1KCNH2
SCHEMBL15192275 0.82 GPR119 (0.51) GPR119KCNJ1KCNH2MAPT
SCHEMBL2732030 0.80 GPR119 (0.54) GPR119KCNJ1KCNH2
SCHEMBL16770278 0.80 GPR119 (0.60) GPR119KCNJ1KCNH2
Hydrochloric Acid SCHEMBL15191967 0.78 GPR119 (0.58) GPR119KCNJ1KCNH2
SCHEMBL10080587 0.78 USP2 (0.66) GPR119MAPTUSP2MAPK1
SCHEMBL2732218 0.75 KCNJ1 (0.47) KCNJ1MAPT
SCHEMBL2732122 0.74 KCNJ1 (0.53) GPR119KCNJ1KCNH2
SCHEMBL15191662 0.72 KCNH2 (0.54) GPR119KCNJ1KCNH2
SCHEMBL20101709 0.72 LMNA (0.53) GPR119MAPTLMNA

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 GPR119 1307/4885KCNJ1 2/4885KCNH2 14/4885

“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.