SCHEMBL4989912

SCHEMBL4989912

CC(CC(C)(C)C)C(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GABRR1 P24046 2/20 0.35
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
SLC7A5 Q01650 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL5351411 0.81 TDP1 (0.34) SLC1A3SLC1A2SLC1A1ADRA1AALDH1A1
SCHEMBL28781104 0.80 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1GABRR1CACNA2D1
SCHEMBL27885645 0.80 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1GABRR1CACNA2D1
Ammonia Solution, Strong SCHEMBL28035184 0.79 TDP1 (0.36) SLC1A3SLC1A2SLC1A1ADRA1AALDH1A1
SCHEMBL22341300 0.79 GRN (0.33) SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL7971064 0.79 ALDH1A1 (0.34) SLC1A3SLC1A2SLC1A1ALDH1A1TDP1
SCHEMBL7595368 0.78 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1SLC7A5TDP1
SCHEMBL96140 0.76 ACE2 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL4738608 0.76 ACE (0.42) SLC1A3SLC1A2SLC1A1GABRR1CACNA2D1
SCHEMBL4990636 0.76 ACE (0.42) SLC1A3SLC1A2SLC1A1GABRR1CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 SLC1A3 118/4885SLC1A2 57/4885SLC1A1 106/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC1A3 128/4885SLC1A2 42/4885SLC1A1 111/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A3 104/4885SLC1A2 29/4885SLC1A1 91/4885

“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.