SCHEMBL4989692

SCHEMBL4989692

CC(CCc1ccc(F)cc1F)CC(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
RIPK1 Q13546 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
DAO P14920 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 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
SCHEMBL3992873 0.93 MAOB (0.36) MAOBFFAR1FFAR4MMEACE
SCHEMBL3998129 0.93 MAOB (0.36) MAOBFFAR1FFAR4MMEACE
SCHEMBL3995282 0.93 MAOB (0.36) MAOBFFAR1FFAR4MMEACE
SCHEMBL4990657 0.90 GRIK1 (0.37) RIPK1GRIK1GRIK2SLC6A4
SCHEMBL4989752 0.87 DPP4 (0.38) MAOBMMEACECPA1ACE2
SCHEMBL4987838 0.87 DPP4 (0.38) MAOBMMEACECPA1ACE2
SCHEMBL4992917 0.85 PKM (0.37) MAOBFFAR1FFAR4MMEACE
SCHEMBL4989021 0.85 RIPK1 (0.36) RIPK1
SCHEMBL4993724 0.84 TAAR1 (0.44) GRIK1PPARG
SCHEMBL4983969 0.84 DPP4 (0.42) MMEGRIK1

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 MAOB 2956/4885FFAR1 2235/4885FFAR4 2366/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MAOB 2439/4885FFAR1 1923/4885FFAR4 2386/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MAOB 2677/4885FFAR1 2117/4885FFAR4 2341/4885

“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.