SCHEMBL4990758

SCHEMBL4990758

CCC(Cc1c(F)cc(F)c(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PDE4A P27815 1/20 0.34
ADRA1A P35348 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
MME P08473 3/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL4994072 0.92 CPB2 (0.35) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4986226 0.87 CPB2 (0.31) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4990647 0.86 CPB2 (0.35) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4986068 0.86 CPB2 (0.35) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4988298 0.86 SLC1A3 (0.36) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4986542 0.86 SLC1A3 (0.36) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4984141 0.85 CPB2 (0.30) CPB2
SCHEMBL4995153 0.85 CPB2 (0.33) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4992630 0.84 CPB2 (0.34) CPB2CHRM1TBXA2RPDE4AADRA1A
SCHEMBL4987473 0.82 CPB2 (0.32) CPB2CHRM1TBXA2RPDE4AADRA1A

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 CPB2 1747/4885CHRM1 2534/4885TBXA2R 497/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885CHRM1 1727/4885TBXA2R 527/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885CHRM1 2396/4885TBXA2R 454/4885

“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.