SCHEMBL2552291

SCHEMBL2552291

C[Si](C)(C)CCOCn1cc(CO)nc1Br

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.42
KLKB1 P03952 1/20 0.33
PDE10A Q9Y233 3/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL7447421 0.84 DGAT1 (0.40) DGAT1KLKB1PDE10AP2RX7
SCHEMBL616813 0.81 DGAT1 (0.48) DGAT1KLKB1PDE10A
SCHEMBL21265981 0.81
SCHEMBL19404674 0.80 DGAT1 (0.47) DGAT1KLKB1PDE10A
SCHEMBL14150942 0.79 KLKB1 (0.36) DGAT1KLKB1PDE10A
SCHEMBL21049984 0.79 DGAT1 (0.43) DGAT1KLKB1PDE10A
SCHEMBL13734146 0.77 DGAT1 (0.40) DGAT1KLKB1
SCHEMBL15701589 0.77 DGAT1 (0.40) DGAT1KLKB1
SCHEMBL23124128 0.77 DGAT1 (0.50) DGAT1PDE10A
SCHEMBL14901223 0.77 DGAT1 (0.47) DGAT1KLKB1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
EP-2552208-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 US disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 US disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 US disclosed
WO-2011123609-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-10-06 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 (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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 DGAT1 1958/4885KLKB1 2590/4885PDE10A 1501/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 DGAT1 1958/4885KLKB1 2590/4885PDE10A 1501/4885
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K3 DGAT1 4593/4885KLKB1 1175/4885PDE10A 1378/4885

“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.