SCHEMBL4989989

SCHEMBL4989989

CCC(CCC(CN)C(=O)O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CPA3 P15088 3/20 0.47
PPARG P37231 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CPA1 P15085 6/20 0.46
FOLH1 Q04609 2/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
ANPEP P15144 2/20 0.46
ERAP2 Q6P179 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
MME P08473 1/20 0.42

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
SCHEMBL4984177 0.87 GRIK1 (0.44) CYP1A2PPARGCPB2ANPEPERAP2
SCHEMBL4993636 0.85 PNMT (0.46) PPARGFOLH1
SCHEMBL4993849 0.84 PPARA (0.55) PPARG
SCHEMBL4990933 0.82 HTR2A (0.49) CYP1A2PPARG
SCHEMBL4985838 0.81 CYP1A2 (0.55) CYP1A2CPA3SLC1A3SLC1A2SLC1A1
SCHEMBL28171699 0.80 CYP1A2 (0.62) CYP1A2CPA3PPARGSLC1A3SLC1A2
SCHEMBL3993764 0.80 TDP1 (0.44) SLC1A3SLC1A2SLC1A1CPB2
SCHEMBL263913 0.80 TDP1 (0.44) SLC1A3SLC1A2SLC1A1CPB2
SCHEMBL4738634 0.78 CYP1A2 (0.76) CYP1A2CPA3SLC1A3SLC1A2SLC1A1
SCHEMBL558159 0.78 CYP1A2 (0.76) CYP1A2CPA3SLC1A3SLC1A2SLC1A1

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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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
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

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 CYP1A2 1487/4885CPA3 3972/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885CPA3 3865/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885CPA3 3702/4885PPARG 1828/4885

“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.