SCHEMBL4984028

SCHEMBL4984028

CCC(CCCc1ccccc1OC)CC(CN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 3/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL4989725 0.93 TAAR1 (0.46) TSHRTAAR1ALDH1A1PPARAMTNR1A
SCHEMBL4993688 0.90 CA12 (0.40) TSHRALDH1A1PPARA
SCHEMBL4993513 0.90 PPARG (0.39) PPARAPPARD
SCHEMBL4989814 0.87 GRIK1 (0.37) TSHRALDH1A1PPARAPPARD
SCHEMBL4991173 0.87 PPARG (0.48) PPARAPPARD
SCHEMBL4992817 0.86 TAAR1 (0.46) TSHRTAAR1ALDH1A1MTNR1AMTNR1B
SCHEMBL4989168 0.85 PPARA (0.48) TSHRTAAR1ALDH1A1PPARAPPARD
SCHEMBL4987476 0.85 MTNR1A (0.47) TAAR1PPARAMTNR1AMTNR1BPPARD
SCHEMBL4992345 0.85 MEN1 (0.41) MTNR1AMTNR1B
SCHEMBL4995131 0.84 TAAR1 (0.40) TAAR1PPARA

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 TSHR 2889/4885TAAR1 1437/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TSHR 3360/4885TAAR1 1172/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TSHR 3138/4885TAAR1 1489/4885ALDH1A1 1424/4885

“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.