SCHEMBL4989643

SCHEMBL4989643

CCC(Cc1cc(C)cc(C)c1)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.40
SLC7A5 Q01650 1/20 0.39
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
CPB2 Q96IY4 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL4990670 0.87 PPARG (0.41) CPB2GRIK1GRIK2PPARGPPARD
SCHEMBL4982906 0.86 TAAR1 (0.40) ANPEPERAP2ERAP1PPARGPPARD
SCHEMBL4989788 0.86 ANPEP (0.44) ANPEPSLC7A5ERAP2ERAP1CPB2
SCHEMBL4985333 0.85 CPB2 (0.37) ANPEPSLC7A5CPB2PPARGSLC1A3
SCHEMBL4985166 0.84 EPHX2 (0.38) CPB2PPARGPPARASLC1A3SLC1A2
SCHEMBL4986691 0.84 CPB2 (0.36) CPB2PPARGPPARDPPARASLC1A3
SCHEMBL4994618 0.84 CPB2 (0.36) CPB2PPARGPPARDPPARASLC1A3
SCHEMBL4983557 0.84 CPB2 (0.36) ANPEPERAP2ERAP1CPB2HTT
SCHEMBL4989306 0.83 ANPEP (0.40) ANPEPSLC7A5ERAP2ERAP1CPB2
SCHEMBL4983858 0.83 PPARG (0.41) PPARGPPARDPPARAAKR1C3AKR1C2

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 ANPEP 750/4885SLC7A5 883/4885ERAP2 802/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885SLC7A5 886/4885ERAP2 655/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885SLC7A5 750/4885ERAP2 731/4885

“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.