SCHEMBL10329693

SCHEMBL10329693

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP3A4 P08684 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL2967944 1.00 HTT (0.41) HTTATML3MBTL1LMNACYP1A2
SCHEMBL2251641 1.00 HTT (0.41) HTTATML3MBTL1LMNACYP1A2
SCHEMBL12994214 0.83 MAPK1 (0.35) HTTTSHRKMT2AMEN1CYP3A4
SCHEMBL12994213 0.83 LMNA (0.37) LMNAKMT2AMEN1CYP3A4MAPT
SCHEMBL3144171 0.83 GAA (0.37) HTTLMNATSHRKMT2AMEN1
SCHEMBL4304857 0.83 APLNR (0.38) HTTLMNACYP1A2TSHRKMT2A
SCHEMBL4296033 0.83 LMNA (0.44) HTTATML3MBTL1LMNACYP1A2
SCHEMBL2251651 0.83 APLNR (0.38) HTTLMNACYP1A2TSHRKMT2A
SCHEMBL294509 0.77
SCHEMBL27207556 0.75 MAPT (0.41) ATML3MBTL1CYP1A2HIF1ATSHR

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 21 patents — showing the first 20. 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-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
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-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-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-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-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-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-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
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 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 (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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTT 55/4885ATM 2309/4885L3MBTL1 2736/4885
US-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME CYP27A1, CYP11B2, CYP11B1 HTT 3096/4885ATM 3241/4885L3MBTL1 4617/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C HTT 52/4885ATM 3071/4885L3MBTL1 2916/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C HTT 48/4885ATM 3009/4885L3MBTL1 3180/4885
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME FFAR1, FFAR2, FFAR3 HTT 1881/4885ATM 3798/4885L3MBTL1 4248/4885

“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.