SCHEMBL14909646

SCHEMBL14909646

CC(C)C[C@@H](CN)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 1/20 0.40
CACNA1C Q13936 1/20 0.40
PGR P06401 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 2/20 0.33
RNPEP Q9H4A4 1/20 0.32

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
SCHEMBL14909647 1.00 SLC7A5 (0.41) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL5064779 0.83 SLC7A5 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL5067944 0.83 SLC7A5 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL9736047 0.83 SLC7A5 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL14909415 0.81 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL14909417 0.81 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL18342421 0.81
SCHEMBL18342420 0.81
SCHEMBL14909473 0.81 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL20974355 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK SLC7A5 1215/4885CACNA2D1 3870/4885CACNB3 2317/4885

“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.