SCHEMBL15437709

SCHEMBL15437709

COC(=O)C(C#N)=C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HSD11B1 P28845 1/20 0.39
PREP P48147 4/20 0.38
DHODH Q02127 5/20 0.37
JAK1 P23458 3/20 0.36
GPR119 Q8TDV5 3/20 0.36
CTSK P43235 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL2922133 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL15437439 0.89 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL15437437 0.89 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL2924960 0.86 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL2927571 0.83 ALDH1A1 (0.35) DHODHMEN1ALDH1A1MAPTKMT2A
SCHEMBL22801858 0.82 CHRM2 (0.54) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL21680263 0.76 SMN1; SMN2 (0.42) GPR119CTSKALDH1A1MAPT
SCHEMBL25010681 0.73 CHRM2 (0.75) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL2123260 0.73 CHRM2 (0.75) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL17457158 0.72 ALDH1A1 (0.33) DHODHMEN1ALDH1A1MAPTKMT2A

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
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-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 (2 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-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.