SCHEMBL14749307

SCHEMBL14749307

N#CN1CCC(C2Cc3cc(Br)ccc3O2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GPR119 Q8TDV5 9/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
USP30 Q70CQ3 2/20 0.34
CTSC P53634 1/20 0.34
GLS O94925 2/20 0.33
PBRM1 Q86U86 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL14749303 0.83 GPR119 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2595915 0.76 PNMT (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14575755 0.76 GPR119 (0.48) GPR119USP30
SCHEMBL14749306 0.75 GPR119 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9936687 0.74 GPR119 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2595423 0.73 GPR119 (0.66) CHRM2GPR119
SCHEMBL9936136 0.72 GPR119 (0.56) CHRM2GPR119
SCHEMBL9936121 0.72 GPR119 (0.47) GPR119USP30
SCHEMBL2595425 0.69 GPR119 (0.66) GPR119
SCHEMBL14575435 0.68 GPR119 (0.45) GPR119USP30

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 CHRM2 143/4885CHRM4 289/4885CHRM5 315/4885

“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.