SCHEMBL4986173

SCHEMBL4986173

CC(Cc1ccccc1)C(CN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.56
SLC1A2 P43004 2/20 0.56
SLC1A1 P43005 2/20 0.56
CYP2D6 P10635 1/20 0.53
ACE P12821 1/20 0.53
TRPA1 O75762 2/20 0.52
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CYP1A2 P05177 1/20 0.50
SRR Q9GZT4 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL4993195 0.86 KMT2A (0.47) SLC1A3SLC1A2SLC1A1ACEPTGS1
SCHEMBL4991167 0.85 TRPA1 (0.53) SLC1A3SLC1A2SLC1A1TRPA1PTGS1
SCHEMBL21598301 0.84 ACE (0.62) SLC1A3SLC1A2SLC1A1CYP2D6ACE
SCHEMBL20875915 0.83 SLC1A1 (0.67) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL4989663 0.83 TSHR (0.49) SLC1A3SLC1A2SLC1A1ACENPC1
SCHEMBL4990742 0.82 LDHA (0.61) CYP2D6CYP1A2NPC1RAB9ASLC6A4
SCHEMBL21264079 0.82 ACE (0.65) SLC1A3SLC1A2SLC1A1CYP2D6ACE
SCHEMBL13880222 0.81 ACE (0.55) SLC1A3SLC1A2SLC1A1CYP2D6ACE
SCHEMBL4995446 0.80 HTR2A (0.58) CYP2D6CYP1A2SLC6A2TAAR1SLC6A4
SCHEMBL4983264 0.79 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1ACETRPA1

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.