SCHEMBL4990980

SCHEMBL4990980

CC(CC(CN)C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GPR139 Q6DWJ6 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 2/20 0.40
ACP3 P15309 1/20 0.40
ADRA1D P25100 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4983783 0.87 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AGRIK1
SCHEMBL4983872 0.86 MEN1 (0.43) ALDH1A1HPGDMEN1KMT2AGRIK1
SCHEMBL4984318 0.85 GRN (0.43) MEN1KMT2AGRIK1GRIK2GPR139
SCHEMBL4981481 0.84 KYNU (0.51) LMNATSHR
SCHEMBL4988045 0.84 ACP3 (0.41) ALDH1A1GPR139ATMACP3
SCHEMBL4984419 0.83 MEN1 (0.43) ALDH1A1HPGDMEN1KMT2AGRIK1
SCHEMBL4994075 0.83 SLC6A2 (0.44) GPR139SLC1A1
SCHEMBL4989822 0.82 GABBR2 (0.49) MEN1KMT2AGRIK1GRIK2LMNA
SCHEMBL4987822 0.81 AKR1C3 (0.45) ALDH1A1HPGDGRIK1GRIK2LMNA
SCHEMBL30514317 0.81 CACNA2D1 (0.47) ALDH1A1HPGDMEN1KMT2ATRPM8

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 ALDH1A1 1484/4885HPGD 2637/4885MEN1 4182/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885HPGD 2799/4885MEN1 4290/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885HPGD 2471/4885MEN1 4287/4885

“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.