SCHEMBL4989684

SCHEMBL4989684

CCC(CC(CN)C(=O)O)c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
CHEK1 O14757 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL4989998 0.89 PTGS2 (0.46) L3MBTL1AKR1C3AKR1C2MAPK1FFAR1
SCHEMBL4986341 0.87 AKR1C3 (0.43) AKR1C3AKR1C2GRIK1GRIK2FFAR1
SCHEMBL4989678 0.85 GPR139 (0.43) GRIK1GRIK2FFAR1
SCHEMBL4990811 0.84 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL4984216 0.84 TDP1 (0.41) AKR1C3AKR1C2ROCK2
SCHEMBL4989638 0.84 FFAR1 (0.50) L3MBTL1AKR1C3AKR1C2GRIK1GRIK2
SCHEMBL11265862 0.84 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL4992029 0.83 KYNU (0.49) AKR1C3AKR1C2
SCHEMBL4986586 0.82 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL4986636 0.82 ACHE (0.51) AKR1C3AKR1C2MAPK1GRIK1GRIK2

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 L3MBTL1 2862/4885MTNR1A 1012/4885MTNR1B 795/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A L3MBTL1 2556/4885MTNR1A 967/4885MTNR1B 836/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A L3MBTL1 2799/4885MTNR1A 934/4885MTNR1B 744/4885

“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.