SCHEMBL6183441

SCHEMBL6183441

CCOC(=O)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.45
HIF1A Q16665 3/20 0.39
LIPG Q9Y5X9 8/20 0.39
LPL P06858 7/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
TYMS P04818 1/20 0.37
CSF1R P07333 1/20 0.36
F2 P00734 2/20 0.36
F11 P03951 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL6481483 0.84 ROCK1 (0.46) ROCK1HIF1ALIPGLPLBACE1
SCHEMBL28929431 0.83 ROCK1 (0.45) ROCK1HIF1ALIPGLPLBACE1
SCHEMBL16334123 0.81 ROCK1 (0.41) ROCK1HIF1ALIPGLPLAAK1
SCHEMBL3845797 0.81 ROCK1 (0.46) ROCK1HIF1ALIPGLPLCA1
SCHEMBL16334762 0.80 ROCK1 (0.40) ROCK1HIF1AAAK1DGAT1
SCHEMBL29825714 0.79 ROCK1 (0.57) ROCK1HIF1ALIPGLPLBACE1
SCHEMBL12068442 0.79 ROCK1 (0.57) ROCK1HIF1ALIPGLPLBACE1
SCHEMBL1852340 0.78 ROCK1 (0.43) ROCK1HIF1ALIPGLPLBACE1
SCHEMBL25177249 0.78 AAK1 (0.45) ROCK1HIF1ALIPGLPLBACE1
SCHEMBL31264645 0.77 ROCK1 (0.47) ROCK1LIPGLPLBACE1BACE2

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-1501787-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists WOOD MICHAEL R (US) 2005-04-21 US disclosed
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK SHARP & DOHME LLC 2003-11-27 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-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives BDKRB1, BDKRB2, CNR2 ROCK1 3076/4885HIF1A 600/4885LIPG 2891/4885
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists BDKRB1, BDKRB2, CNR2 ROCK1 3750/4885HIF1A 808/4885LIPG 2880/4885

“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.