SCHEMBL4983403

SCHEMBL4983403

COc1cccc(CC(C)CC(CN)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
PPARA Q07869 1/20 0.47
CYP1A2 P05177 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
CTBP2 P56545 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.43
MAOB P27338 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 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
SCHEMBL4987969 0.88 TAAR1 (0.50) TAAR1CYP1A2GRIK1GRIK2MEN1
SCHEMBL4993875 0.88 CYSLTR2 (0.47) TAAR1CYSLTR2CYSLTR1
SCHEMBL4983787 0.87 LDHA (0.40) TAAR1MEN1KMT2A
SCHEMBL4987494 0.85 PLA2G10 (0.45) PPARACYSLTR2CYSLTR1
SCHEMBL4987223 0.85 MTNR1A (0.48) TAAR1GRIK1
SCHEMBL4990939 0.85 PPARA (0.53) TAAR1PPARACYP1A2GRIK1GRIK2
SCHEMBL4990957 0.84 LDHA (0.58) PPARACYP1A2GRIK1GRIK2KMT2A
SCHEMBL4987047 0.83 TAAR1 (0.41) TAAR1PPARACYP1A2CTBP2MEN1
SCHEMBL4989957 0.83 GRIA2 (0.48) TAAR1CYP1A2CYSLTR2CYSLTR1HIF1A
SCHEMBL1913794 0.82 TAAR1 (0.52) TAAR1CYP1A2CTBP2MEN1KMT2A

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 TAAR1 1437/4885PPARA 1454/4885CYP1A2 1487/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885PPARA 1126/4885CYP1A2 1628/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885PPARA 1324/4885CYP1A2 1464/4885

“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.