SCHEMBL15601802

SCHEMBL15601802

Cc1cccc(COC(=O)NCCC[C@H](N)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.55
SLC1A1 P43005 1/20 0.55
DPP8 Q6V1X1 3/20 0.51
DPP7 Q9UHL4 3/20 0.51
SLC1A5 Q15758 1/20 0.49
ANPEP P15144 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
DPP4 P27487 2/20 0.48
DPP9 Q86TI2 2/20 0.48
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
FOLH1 Q04609 2/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIF11 P52732 3/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL23157239 0.97 DPP8 (0.55) SLC1A3SLC1A1DPP8DPP7SLC1A5
SCHEMBL2037306 0.86 SLC1A3 (0.70) SLC1A3SLC1A1DPP8DPP7ANPEP
SCHEMBL2677967 0.86 SLC1A3 (0.70) SLC1A3SLC1A1DPP8DPP7ANPEP
SCHEMBL4986552 0.86 SLC1A3 (0.70) SLC1A3SLC1A1DPP8DPP7ANPEP
Hydrochloric Acid SCHEMBL6751263 0.85 SLC1A3 (0.69) SLC1A3SLC1A1DPP8DPP7ANPEP
Hydrochloric Acid SCHEMBL29025567 0.85 SLC1A3 (0.69) SLC1A3SLC1A1DPP8DPP7ANPEP
Hydrochloric Acid SCHEMBL5652476 0.85 SLC1A3 (0.69) SLC1A3SLC1A1DPP8DPP7ANPEP
SCHEMBL18541541 0.84 DPP8 (0.56) SLC1A3SLC1A1DPP8DPP7ANPEP
Hydrochloric Acid SCHEMBL20945356 0.83 DPP8 (0.55) SLC1A3SLC1A1DPP8DPP7ANPEP
Hydrochloric Acid SCHEMBL20945357 0.83 DPP8 (0.55) SLC1A3SLC1A1DPP8DPP7ANPEP

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-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 SLC1A3 1037/4885SLC1A1 1169/4885DPP8 2946/4885

“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.