SCHEMBL14925564

SCHEMBL14925564

CCN[C@@]12C[C@@H]3C[C@@H](C[C@@H]1C3)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 2/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL17347042 1.00 DPP4 (0.41) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13285299 0.74 GRIN2D (0.40) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1548214 0.73 GRIN2D (0.54) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18563079 0.73 GRIN2D (0.52) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10282272 0.73 GRIN2D (0.52) DPP4GRIN2DGRIN3BGRIN1GRIN2A
Water SCHEMBL21840768 0.71 GRIN2D (0.52) DPP4GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL4433215 0.71 GRIN2D (0.52) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31288967 0.69 GRIN2D (0.44) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL105533 0.68 SLC22A2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31288966 0.67 DPP4 (0.35) DPP4GRIN2DGRIN3BGRIN1GRIN2A

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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN DPP4 1878/4885GRIN2D 1323/4885GRIN3B 734/4885

“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.