SCHEMBL4987331

SCHEMBL4987331

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CNR2 P34972 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KCNQ2 O43526 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FFAR1 O14842 1/20 0.38
SLC1A1 P43005 2/20 0.38

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
SCHEMBL4984216 0.86 TDP1 (0.41) KCNQ2
SCHEMBL4981794 0.86 AKR1C3 (0.35) CES2CES1SLC1A1
SCHEMBL4992029 0.85 KYNU (0.49)
SCHEMBL4984419 0.84 MEN1 (0.43) KCNQ2FFAR1
SCHEMBL4994075 0.83 SLC6A2 (0.44) SLC6A2SLC6A4CNR2HDAC4HDAC7
SCHEMBL27644824 0.83 KYNU (0.47) CNR2HDAC4HDAC7HDAC5SLC1A1
SCHEMBL4984304 0.83 PNMT (0.51) KCNQ2CES2
SCHEMBL4989723 0.83 GABBR2 (0.45) FFAR1
SCHEMBL4995415 0.82 AKR1C3 (0.44)
SCHEMBL4989684 0.82 L3MBTL1 (0.48) FFAR1

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 581/4885CNR2 394/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC6A2 350/4885SLC6A4 624/4885CNR2 318/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC6A2 320/4885SLC6A4 524/4885CNR2 368/4885

“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.