SCHEMBL14908571

SCHEMBL14908571

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
ANPEP P15144 5/20 0.34
DNPEP Q9ULA0 1/20 0.34
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
LAP3 P28838 5/20 0.31
ERAP1 Q9NZ08 1/20 0.31
SLC1A1 P43005 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL14908569 1.00 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2ANPEPDNPEP
SCHEMBL14910411 0.83 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL14910717 0.83 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL14910497 0.80 SLC1A2 (0.34) SLC1A3SLC1A2ADRA1ASLC1A1ALDH1A1
SCHEMBL14910495 0.80 SLC1A2 (0.34) SLC1A3SLC1A2ADRA1ASLC1A1ALDH1A1
SCHEMBL14910117 0.79 RNPEP (0.33) SLC7A5RNPEP
SCHEMBL14909893 0.78 ALDH1A1 (0.33) SLC7A5ALDH1A1
SCHEMBL14910257 0.78 ALDH1A1 (0.33) SLC7A5ALDH1A1
SCHEMBL14909609 0.78 ALDH1A1 (0.33) SLC7A5ALDH1A1
SCHEMBL14910081 0.78 ALDH1A1 (0.33) SLC7A5ALDH1A1

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 9 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-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 US disclosed
US-8809371-B2 2014-08-19 US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP 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 (2 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 1215/4885SLC1A3 2372/4885SLC1A2 3361/4885
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 SLC7A5 1476/4885SLC1A3 2948/4885SLC1A2 2764/4885

“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.