SCHEMBL4990786

SCHEMBL4990786

CCC(CCCc1cccc(OC)c1)CC(CN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP1A2 P05177 1/20 0.43
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GRIK1 P39086 1/20 0.41

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
SCHEMBL4990898 0.93 TAAR1 (0.48) MTNR1AMTNR1BTAAR1CYP1A2PPARA
SCHEMBL4983819 0.90 PPARA (0.45) PPARACHRM2CHRM1CHRM3GRIK1
SCHEMBL4983506 0.90 PTGS2 (0.39) GRIK1
SCHEMBL4984871 0.87 PPARG (0.43) PPARACHRM2CHRM1CHRM3
SCHEMBL4987223 0.86 MTNR1A (0.48) MTNR1AMTNR1BTAAR1HDAC1HDAC6
SCHEMBL4984018 0.86 PPARG (0.45) TAAR1KMT2AGRIK1
SCHEMBL4990939 0.86 PPARA (0.53) TAAR1CYP1A2PPARAMEN1KMT2A
SCHEMBL4989052 0.85 ANPEP (0.44) TAAR1HDAC6GRIK1
SCHEMBL4983574 0.85 GRIK1 (0.43) TAAR1HDAC1HDAC6KMT2AGRIK1
SCHEMBL4983562 0.84 GRIK1 (0.42) TAAR1MEN1KMT2AGRIK1

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 MTNR1A 1012/4885MTNR1B 795/4885TAAR1 1437/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MTNR1A 967/4885MTNR1B 836/4885TAAR1 1172/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MTNR1A 934/4885MTNR1B 744/4885TAAR1 1489/4885

“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.