SCHEMBL4990975

SCHEMBL4990975

Cc1cccc(CC(C)CC(CN)C(=O)O)c1C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.38
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
PPARG P37231 2/20 0.38
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CPB2 Q96IY4 3/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARA Q07869 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

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
SCHEMBL4989695 0.89 PPARG (0.44) PPARGANPEPRNPEPDNPEPCYP1A2
SCHEMBL4992913 0.87 CPB2 (0.35) ESR1KCNH2PPARGANPEPRNPEP
SCHEMBL4987597 0.86 ESR1 (0.34) SCN4AESR1PPARGPSMB1PSMB5
SCHEMBL4994110 0.84 GRIK1 (0.36) SCN4AESR1PPARGPTGESALOX5
SCHEMBL4986895 0.84 SCN4A (0.37) SCN4APPARGANPEPRNPEPDNPEP
SCHEMBL4987097 0.84 PPARG (0.41) ESR1KCNH2PPARGPSMB1PSMB5
SCHEMBL4989911 0.81 IAPP (0.41) ANPEPRNPEPDNPEPCYP1A2SLC1A3
SCHEMBL4990012 0.81 KDM4E (0.35) ANPEPCPB2
SCHEMBL7382016 0.80 PPARG (0.48) ESR1PPARGCYP1A2PTGESALOX5
SCHEMBL4995234 0.80 AKR1B1 (0.42) ANPEPRNPEPDNPEPCYP1A2SLC1A3

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 SCN4A 29/4885ESR1 2073/4885KCNH2 423/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SCN4A 63/4885ESR1 2235/4885KCNH2 424/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SCN4A 42/4885ESR1 2268/4885KCNH2 449/4885

“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.