SCHEMBL4983540

SCHEMBL4983540

CCCC(CC)C(CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 3/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
METAP1 P53582 1/20 0.36

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
SCHEMBL4983890 0.88 CA2 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4986191 0.87 SLC1A3 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4991075 0.86 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3847765 0.85 TDP1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2327832 0.83 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2327835 0.83 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27494290 0.80 TDP1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL20564459 0.79 TDP1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28718230 0.78 TDP1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8677921 0.78 TDP1 (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 CHRM1 2534/4885AKR1A1 3956/4885CHRM3 3291/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CHRM1 1727/4885AKR1A1 3873/4885CHRM3 2569/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CHRM1 2396/4885AKR1A1 3953/4885CHRM3 3089/4885

“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.