SCHEMBL1804229

SCHEMBL1804229

Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1C1CN(C(=O)O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PREP P48147 3/20 0.34
PROKR1 Q8TCW9 5/20 0.32

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
SCHEMBL11898578 0.89 GPR119 (0.38) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL1807901 0.85 LMNA (0.35) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL533786 0.80 DRD2 (0.37)
SCHEMBL556469 0.77 ESR1 (0.37)
SCHEMBL557260 0.70 ESR2 (0.51)
SCHEMBL5156097 0.69 NR1H2 (0.41)
SCHEMBL28260987 0.68 BTK (0.45)
SCHEMBL28260986 0.68 BTK (0.45)
SCHEMBL16554211 0.68 CA12 (0.38) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL4875231 0.67 HSP90AA1 (0.40) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488530-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS Merck Canada Inc. (CA) 2012-08-22 EP disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 US disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 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-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS REN, AGTR1, AGTR2 CA12 4012/4885CA1 2861/4885CA9 790/4885

“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.