SCHEMBL4989241

SCHEMBL4989241

CCC(CCCc1ccc(C)cc1C)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIK1 P39086 2/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
MAPK1 P28482 1/20 0.32
LNPEP Q9UIQ6 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
GRIK2 Q13002 1/20 0.30
CPB2 Q96IY4 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
SCHEMBL4989620 0.93 NPC1 (0.34) NPC1RAB9AGRIK1NR3C1PGR
SCHEMBL4987705 0.91 TAAR1 (0.42) NPC1RAB9AGRIK1NR3C1NR3C2
SCHEMBL4991134 0.86 NR3C1 (0.40) NPC1RAB9ANR3C1PGRNR3C2
SCHEMBL4983988 0.86 LNPEP (0.31) GRIK1LNPEPANPEPERAP2ERAP1
SCHEMBL4989630 0.85 MAPK1 (0.35) NPC1RAB9AGRIK1PSMB8PSMB5
SCHEMBL4989053 0.85 PPARG (0.42) GRIK1PPARGTAAR1
SCHEMBL4987643 0.85 ANPEP (0.33) GRIK1MAPK1ANPEPERAP2ERAP1
SCHEMBL4991583 0.84 GRIK1 (0.33) GRIK1PPARGCPB2
SCHEMBL4986855 0.83 TAAR1 (0.44) NPC1RAB9AGRIK1NR3C1NR3C2
SCHEMBL4983416 0.83 GRIK1 (0.44) GRIK1MAPK1PPARGPPARDPPARA

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 1165/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A NPC1 3193/4885RAB9A 1424/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A NPC1 3111/4885RAB9A 1183/4885GRIK1 415/4885

“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.