SCHEMBL4987969

SCHEMBL4987969

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
AOC3 Q16853 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4987223 0.93 MTNR1A (0.48) TAAR1L3MBTL1MTNR1AMTNR1BGRIK1
SCHEMBL17317764 0.90 TAAR1 (0.50) TAAR1L3MBTL1MTNR1AMTNR1BCYP1A2
SCHEMBL4995020 0.88 CA1 (0.44) L3MBTL1
SCHEMBL4983403 0.88 TAAR1 (0.55) TAAR1CYP1A2MEN1KMT2AGRIK1
SCHEMBL4987810 0.87 AKR1B1 (0.39) MEN1KMT2A
SCHEMBL4986652 0.86 CHRM2 (0.44)
SCHEMBL4990898 0.86 TAAR1 (0.48) TAAR1MTNR1AMTNR1BCYP1A2MEN1
SCHEMBL4994531 0.85 ANPEP (0.51) TAAR1GRIK1
SCHEMBL4990603 0.85 ALDH1A1 (0.48) TAAR1
SCHEMBL4990870 0.84 TAAR1 (0.46) TAAR1L3MBTL1MEN1KMT2AGRIK1

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 1437/4885L3MBTL1 2862/4885MTNR1A 1012/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885L3MBTL1 2556/4885MTNR1A 967/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885L3MBTL1 2799/4885MTNR1A 934/4885

“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.