SCHEMBL4989355

SCHEMBL4989355

CC(CCc1c(F)cc(F)cc1F)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
GABRR1 P24046 2/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CNR1 P21554 1/20 0.31
RIPK1 Q13546 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
CPB2 Q96IY4 3/20 0.30
MME P08473 1/20 0.30

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
SCHEMBL4990083 0.92 TAAR1 (0.35) TAAR1GABRR1FFAR1FFAR4CPB2
SCHEMBL4989978 0.87 CPB2 (0.34) RIPK1CPB2MME
SCHEMBL4984214 0.86 TAAR1 (0.32) TAAR1GABRR1
SCHEMBL4986103 0.86 GABRR1 (0.32) TAAR1GABRR1SLC1A3SLC1A2SLC1A1
SCHEMBL4988072 0.86 TAAR1 (0.34) TAAR1
SCHEMBL4989021 0.85 RIPK1 (0.36) RIPK1CPB2
SCHEMBL4984115 0.84 ANPEP (0.32) SLC1A3SLC1A2SLC1A1CPB2MME
SCHEMBL4990714 0.84 TAAR1 (0.33) TAAR1RIPK1SLC1A3SLC1A2SLC1A1
SCHEMBL4989692 0.83 MAOB (0.38) FFAR1FFAR4RIPK1MME
SCHEMBL4986214 0.82 FOLH1 (0.35) GABRR1SLC1A3SLC1A2SLC1A1CPB2

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 TAAR1 1437/4885GABRR1 239/4885FFAR1 2235/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885GABRR1 229/4885FFAR1 1923/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885GABRR1 223/4885FFAR1 2117/4885

“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.