SCHEMBL3992467

SCHEMBL3992467

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.40
SLC1A3 P43003 3/20 0.40
SLC1A1 P43005 3/20 0.40
CPB2 Q96IY4 5/20 0.38
BLM P54132 1/20 0.38
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
GABRR1 P24046 2/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL3966129 0.80 CHRM1 (0.40) SLC1A2SLC1A3SLC1A1CPB2CA2
SCHEMBL3996075 0.80 CPB2 (0.50) SLC1A2SLC1A3SLC1A1CPB2BLM
Hydrochloric Acid SCHEMBL3994474 0.79 CHRM1 (0.39) SLC1A2SLC1A3SLC1A1CPB2CA2
SCHEMBL12391770 0.75 CPB2 (0.40) SLC1A2SLC1A3SLC1A1CPB2CA2
SCHEMBL977889 0.73 SLC1A3 (0.61) SLC1A2SLC1A3SLC1A1CPB2BLM
SCHEMBL5378219 0.73 SLC1A3 (0.61) SLC1A2SLC1A3SLC1A1CPB2BLM
SCHEMBL2904702 0.72 CHRM1 (0.52) SLC1A2SLC1A3SLC1A1CPB2BLM
SCHEMBL4990488 0.72 CA2 (0.48) SLC1A2SLC1A3SLC1A1CPB2CA2
SCHEMBL3964216 0.72 FFAR1 (0.37) SLC1A2SLC1A3SLC1A1BLMFFAR1
SCHEMBL27658554 0.72 FFAR1 (0.37) SLC1A2SLC1A3SLC1A1BLMFFAR1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658059-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658058-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
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
WO-2005018622-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018621-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018670-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043407-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20050043406-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2005-02-24 US claimed
US-20050043345-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 US claimed
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 US disclosed
US-20090036487-A1 Combinations PFIZER INC. 2009-02-05 US disclosed
US-7419981-B2 Synergistic combinations of an alpha-2-delta ligand and a cGMP phosphodieterse 5 inhibitor PFIZER INC. (US) 2008-09-02 US disclosed
EP-1536782-B1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LTD (GB) 2007-04-18 EP disclosed
US-20040092522-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-05-13 US disclosed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 WO 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 (4 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-20090036487-A1 Combinations CHRNE, CHRND, CHRNG SLC1A2 423/4885SLC1A3 903/4885SLC1A1 1090/4885
US-20040092522-A1 Synergistic combinations PDE2A, PDE1B, PDE1A SLC1A2 788/4885SLC1A3 1462/4885SLC1A1 1311/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A SLC1A2 19/4885SLC1A3 73/4885SLC1A1 67/4885
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A2 21/4885SLC1A3 83/4885SLC1A1 80/4885

“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.