SCHEMBL2968328

SCHEMBL2968328

C[C@@]1(C(=O)O)C[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
GRM4 Q14833 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A4 P31645 1/20 0.39
FFAR3 O14843 1/20 0.38
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 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
SCHEMBL12359651 1.00 APLNR (0.44) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL1029825 1.00 APLNR (0.44) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL2251075 1.00 APLNR (0.44) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL9543690 0.82 APLNR (0.37) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL3136057 0.82 APLNR (0.42) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL15514216 0.80 SLC6A4 (0.55) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL29221404 0.78 GRM4 (0.47) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL9513960 0.78 GRM4 (0.46) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL4304857 0.77 APLNR (0.38) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL2251651 0.77 APLNR (0.38) APLNRGRM4CYP2C19ALDH1A1CYP1A2

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
US-8222240-B2 Use of substituted cyclopropane acid derivatives for producing drugs for use in the treatment of metabolic syndrome SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-17 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
EP-1935887-B1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA INC (US) 2010-01-13 EP disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-02 US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-21 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
EP-1392676-B1 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2006-12-13 EP disclosed
EP-1688412-A2 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2006-08-09 EP disclosed
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2005-05-19 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 (6 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 APLNR 1099/4885GRM4 160/4885CYP2C19 800/4885
US-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME CYP27A1, CYP11B2, CYP11B1 APLNR 2205/4885GRM4 3084/4885CYP2C19 173/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 APLNR 1099/4885GRM4 160/4885CYP2C19 800/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C APLNR 2558/4885GRM4 156/4885CYP2C19 564/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C APLNR 2425/4885GRM4 148/4885CYP2C19 516/4885
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME FFAR1, FFAR2, FFAR3 APLNR 728/4885GRM4 1355/4885CYP2C19 259/4885

“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.