SCHEMBL3966129

SCHEMBL3966129

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A2 P43004 4/20 0.38
SLC1A1 P43005 4/20 0.38
SLC1A3 P43003 3/20 0.38
GRIK1 P39086 4/20 0.37
GRIK2 Q13002 4/20 0.37
CPB2 Q96IY4 5/20 0.33

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
Hydrochloric Acid SCHEMBL3994474 0.98 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4983975 0.83 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3991897 0.81 CPB2 (0.42) ADRA1ATDP1CA2CPB2LMNA
SCHEMBL3992467 0.80 SLC1A2 (0.40) TDP1CA2MAPK1SLC1A2SLC1A1
SCHEMBL12391770 0.79 CPB2 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8847224 0.77 GRIK1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL18762598 0.76 SLC1A2 (0.44) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL18775003 0.76 SLC1A2 (0.44) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL18775000 0.76 SLC1A2 (0.44) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL1561601 0.74 LMNA (0.37) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1614675-A2 Amino acids with affinity for the alpha-2-delta protein Warner-Lambert Company LLC (US) 2006-01-11 EP claimed
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein BARTA NANCY SUE 2005-12-08 US claimed
EP-1492761-B1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER LAMBERT CO (US) 2009-07-22 EP disclosed
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 US disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 US disclosed
EP-1670452-A2 METHOD OF USE OF AMINOACIDS HAVING AFFINITY FOR THE A2D PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 US disclosed
EP-1614675-A2 Amino acids with affinity for the alpha-2-delta protein Warner-Lambert Company LLC (US) 2006-01-11 EP disclosed
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein BARTA NANCY SUE 2005-12-08 US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 US disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 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 (5 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CHRM1 2872/4885AKR1A1 4215/4885CHRM3 2717/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A CHRM1 2860/4885AKR1A1 4393/4885CHRM3 2651/4885
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CHRM1 2808/4885AKR1A1 4148/4885CHRM3 3193/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A CHRM1 2110/4885AKR1A1 4114/4885CHRM3 2401/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CHRM1 2872/4885AKR1A1 4215/4885CHRM3 2717/4885

“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.