SCHEMBL14910495

SCHEMBL14910495

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
GRIK1 P39086 3/20 0.34
GRIK2 Q13002 3/20 0.34
SLC1A3 P43003 2/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
METAP1 P53582 1/20 0.32
GABRP O00591 2/20 0.31

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
SCHEMBL14910497 1.00 SLC1A2 (0.34) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL14910442 0.90 SLC1A2 (0.41) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL14910440 0.90 SLC1A2 (0.41) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL14910411 0.85 SLC1A3 (0.31) SLC1A2SLC1A1SLC1A3
SCHEMBL14910717 0.85 SLC1A3 (0.31) SLC1A2SLC1A1SLC1A3
SCHEMBL14909835 0.81 SLC1A2 (0.33) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL14909876 0.80 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14908571 0.80 SLC7A5 (0.41) SLC1A2SLC1A1SLC1A3ADRA1AALDH1A1
SCHEMBL14908569 0.80 SLC7A5 (0.41) SLC1A2SLC1A1SLC1A3ADRA1AALDH1A1
SCHEMBL14910081 0.77 ALDH1A1 (0.33) ALDH1A1

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 SLC1A2 3361/4885SLC1A1 2279/4885GRIK1 1243/4885

“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.