SCHEMBL386894

SCHEMBL386894

C[C@@H](O)C1CCN(C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.52
CTSK P43235 6/20 0.39
CTSL P07711 3/20 0.39
CTSB P07858 3/20 0.39
CTSS P25774 1/20 0.39
USP30 Q70CQ3 9/20 0.37
CTSH P09668 1/20 0.33
UCHL1 P09936 1/20 0.31

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
SCHEMBL20276241 0.82 GPR119 (0.50) GPR119CTSKCTSLCTSBCTSS
SCHEMBL1713331 0.79 GPR119 (0.44) GPR119CTSKCTSLCTSBCTSS
SCHEMBL11127714 0.77 GPR119 (0.50) GPR119CTSKCTSLCTSBCTSS
SCHEMBL19449847 0.75
SCHEMBL9003963 0.74 USP30 (0.43) GPR119CTSKCTSLCTSBCTSS
SCHEMBL16085941 0.74 GPR119 (0.47) GPR119CTSKCTSLCTSBCTSS
SCHEMBL25784704 0.72 NCF1 (0.37)
SCHEMBL6263030 0.72 NCF1 (0.37)
SCHEMBL3651380 0.71 GPR119 (0.44) GPR119CTSKCTSLCTSBCTSS
SCHEMBL23103447 0.70 CHRNA7 (0.37)

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
CN-101657471-B Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP 2013-07-03 CN disclosed
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
CN-101657471-A Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP US 2010-02-24 CN disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC GPR119 1/4885CTSK 2534/4885CTSL 3181/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC GPR119 1/4885CTSK 2534/4885CTSL 3181/4885

“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.