SCHEMBL4989620

SCHEMBL4989620

CCC(CCc1ccc(C)cc1C)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
MAPK1 P28482 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CPB2 Q96IY4 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4989241 0.93 NPC1 (0.33) NPC1RAB9ANR3C1PGRNR3C2
SCHEMBL4986855 0.90 TAAR1 (0.44) NPC1RAB9ANR3C1NR3C2TAAR1
SCHEMBL4991134 0.88 NR3C1 (0.40) NPC1RAB9ANR3C1PGRNR3C2
SCHEMBL4992413 0.85 ANPEP (0.32) ANPEPERAP2ERAP1CPB2
SCHEMBL4989035 0.85 PPARG (0.44) TAAR1PPARGPPARAGRIK1
SCHEMBL4990449 0.85 MAPK1 (0.36) NPC1RAB9APSMB8PSMB5MAPK1
SCHEMBL4984253 0.84 CPB2 (0.32) PPARGCPB2
SCHEMBL4989806 0.83 ANPEP (0.33) ANPEPERAP2ERAP1GRIK1GRIK2
SCHEMBL4987705 0.83 TAAR1 (0.42) NPC1RAB9ANR3C1NR3C2TAAR1
SCHEMBL4989788 0.82 ANPEP (0.44) PPARGANPEPERAP2ERAP1GRIK1

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
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
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 NPC1 3038/4885RAB9A 1165/4885NR3C1 2261/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A NPC1 3193/4885RAB9A 1424/4885NR3C1 2184/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A NPC1 3111/4885RAB9A 1183/4885NR3C1 2463/4885

“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.