SCHEMBL4990095

SCHEMBL4990095

CCC(Cc1cccc(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
IDO1 P14902 2/20 0.35
REN P00797 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
PTPRC P08575 1/20 0.34
PTPRG P23470 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CPB2 Q96IY4 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL4994179 0.90 ALDH1A1 (0.45) PNMTTAAR1ALDH1A1GRIK1GRIK2
SCHEMBL4987056 0.88 CPB2 (0.34) ALDH1A1TAS1R3TAS1R1TAS1R2GRIK1
SCHEMBL4995065 0.88 TAAR1 (0.43) PNMTTAAR1ALDH1A1TAS1R3TAS1R1
SCHEMBL4993648 0.85 TAAR1 (0.41) PNMTTAAR1ALDH1A1TAS1R3TAS1R1
SCHEMBL4981486 0.85 AKR1B1 (0.39) TAAR1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL4988117 0.84 PNMT (0.44) PNMTTAAR1GRIK1GRIK2IDO1
SCHEMBL4994963 0.82 CPB2 (0.34) GRIK1GRIK2CPB2SLC6A2SLC6A4
SCHEMBL4991735 0.82 CPB2 (0.35) TAS1R3TAS1R1TAS1R2GRIK1GRIK2
SCHEMBL4988595 0.81 RIPK1 (0.38) CPB2
SCHEMBL4987271 0.81 IAPP (0.40) CTSGCPB2

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 PNMT 2239/4885TAAR1 1437/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885TAAR1 1172/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885TAAR1 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.