SCHEMBL4987604

SCHEMBL4987604

Cc1cc(C)c(C(C)C(C)CC(CN)C(=O)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
HTT P42858 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31

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
SCHEMBL4991432 0.85 SCN4A (0.34) ANPEPSLC1A3SLC1A2
SCHEMBL4984658 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1CYP2C19
SCHEMBL4986115 0.84 KDM4E (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1CYP2C19
SCHEMBL4992324 0.83 PTGS2 (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1CYP2C19
SCHEMBL27644708 0.81 SLC7A5 (0.44) ALDH1A1CYP2C19KDM4ESLC1A3SLC1A2
SCHEMBL4992940 0.81 ALDH1A1 (0.38) ALDH1A1CYP2C19KDM4EMAPK1GRIK1
SCHEMBL4990830 0.81 ALDH1A1 (0.32) ALDH1A1CYP2C19ANPEPSLC1A3SLC1A2
SCHEMBL4990124 0.79 GRN (0.35) ALDH1A1LMNAKDM4ESLC1A3SLC1A2
SCHEMBL4995005 0.79 PTGES (0.35) SLC6A2LMNAKDM4EMAPK1SLC1A3
SCHEMBL4985057 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA

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 SLC6A2 368/4885SLC6A4 581/4885SLC6A3 562/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC6A2 350/4885SLC6A4 624/4885SLC6A3 720/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC6A2 320/4885SLC6A4 524/4885SLC6A3 492/4885

“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.