SCHEMBL4982906

SCHEMBL4982906

CCC(Cc1cccc(C)c1)CC(CN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.39
CTBP2 P56545 1/20 0.39
CTSB P07858 2/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 2/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL4993816 0.87 TAAR1 (0.44) TAAR1POLBCTBP2NR3C2ANPEP
SCHEMBL4992735 0.87 GRIA2 (0.46) TAAR1PLA2G10PLA2G2ASLC1A3SLC1A2
SCHEMBL4989643 0.86 ANPEP (0.40) SLC1A3SLC1A2SLC1A1NR3C1PGR
SCHEMBL4989945 0.86 PNMT (0.47) TAAR1CTBP2CTSBPLA2G10PLA2G2A
SCHEMBL4991239 0.86 SLC1A1 (0.51) TAAR1PLA2G10PLA2G2ASLC1A3SLC1A2
SCHEMBL4984641 0.86 SLC1A1 (0.51) TAAR1PLA2G10PLA2G2ASLC1A3SLC1A2
SCHEMBL4983574 0.85 GRIK1 (0.43) TAAR1POLBCTBP2NR3C2ANPEP
SCHEMBL4990670 0.85 PPARG (0.41) SLC1A3SLC1A2SLC1A1CYP1A2PPARG
SCHEMBL6532923 0.84 CYP1A2 (0.50) TAAR1POLBCTBP2SLC1A3SLC1A2
SCHEMBL4987047 0.84 TAAR1 (0.41) TAAR1POLBCTBP2CTSBSLC1A3

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 TAAR1 1437/4885POLB 2873/4885CTBP2 496/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885POLB 2711/4885CTBP2 388/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885POLB 2992/4885CTBP2 515/4885

“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.