SCHEMBL4986080

SCHEMBL4986080

CCC(CCCc1ccc(Cl)c(Cl)c1)C(N)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.44
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
PNMT P11086 2/20 0.39
KCNH2 Q12809 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PYGL P06737 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
SIGMAR1 Q99720 1/20 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
SCHEMBL4986912 0.92 FFAR1 (0.46) FFAR1S1PR2S1PR1PNMTKCNH2
SCHEMBL4990585 0.86 S1PR2 (0.49) FFAR1S1PR2S1PR1
SCHEMBL4981545 0.85 PNMT (0.44) FFAR1S1PR2S1PR1IGF1RALOX15
SCHEMBL4995226 0.84 FFAR1 (0.42) FFAR1S1PR2S1PR1PNMTSIGMAR1
SCHEMBL4989440 0.84 PNMT (0.50) FFAR1PNMT
SCHEMBL4987054 0.84 SMN1; SMN2 (0.43) FFAR1S1PR2S1PR1PNMTTAAR1
SCHEMBL4990547 0.80 ACLY (0.49)
SCHEMBL4986467 0.80 SLC6A2 (0.47) S1PR2S1PR1TAAR1
SCHEMBL4983954 0.79 PNMT (0.46) FFAR1S1PR2S1PR1PNMTKCNH2
SCHEMBL4983425 0.79 PNMT (0.48) FFAR1PNMTSIGMAR1

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 FFAR1 2235/4885S1PR2 3773/4885S1PR1 4527/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A FFAR1 1923/4885S1PR2 3595/4885S1PR1 4457/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A FFAR1 2117/4885S1PR2 3843/4885S1PR1 4601/4885

“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.