SCHEMBL14749455

SCHEMBL14749455

CCCS(=O)(=O)N1CCC(c2ccc3c(c2)CC(C2CCN(C(=O)CC(C)C)CC2)O3)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.62
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CCR1 P32246 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
SCHEMBL14749382 0.88 GPR119 (0.68) GPR119TLR8TLR7
SCHEMBL14749435 0.81 GPR119 (0.80) GPR119
SCHEMBL14749341 0.76 GPR119 (1.00) GPR119
SCHEMBL2595423 0.75 GPR119 (0.66) GPR119
SCHEMBL14749370 0.73 GPR119 (0.84) GPR119
SCHEMBL14749426 0.72 GPR119 (0.68) GPR119
SCHEMBL14740001 0.71 GPR119 (0.80) GPR119
SCHEMBL12184526 0.70 GPR119 (0.88) GPR119
SCHEMBL14749372 0.69 GPR119 (1.00) GPR119
SCHEMBL14739240 0.69 GPR119 (1.00) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729084-B2 Benzofuranyl analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-20 US disclosed
US-20130059858-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 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 (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-20130059858-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS GPR119, GPR180, GPR139 GPR119 1/4885POLB 4537/4885NPSR1 106/4885

“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.