SCHEMBL15437639

SCHEMBL15437639

CN1C[C@H]2CC(=O)C[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
HSD11B1 P28845 2/20 0.48
PREP P48147 4/20 0.38
NR1H2 P55055 1/20 0.36
MAPK1 P28482 1/20 0.35
KAT2B Q92831 1/20 0.35
AR P10275 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL15437638 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL738468 0.87 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL18713026 0.84 CHRM2 (0.59) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL13931011 0.84 CHRM2 (0.64) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL722238 0.84 CHRM2 (0.64) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL23658364 0.84 CHRM2 (0.64) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL413300 0.84 CHRM2 (0.64) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL23658362 0.84 CHRM2 (0.64) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL2813407 0.84 CHRM2 (0.59) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL8374380 0.84 CHRM2 (0.64) CHRM2CHRM1CHRM3HSD11B1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968288-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-04 EP disclosed
US-9765074-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-19 US disclosed
EP-2877471-B1 SPIRO-FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-20160024091-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-28 US disclosed
US-9206198-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150099729-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
US-8952166-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 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-20150099729-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CHRM2 2526/4885CHRM1 2029/4885CHRM3 2282/4885
US-20160024091-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CHRM2 2009/4885CHRM1 1597/4885CHRM3 1967/4885
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CHRM2 2526/4885CHRM1 2029/4885CHRM3 2282/4885

“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.