SCHEMBL12445019

SCHEMBL12445019

CC(=O)O[C@H]1CCC[C@@H](OC2CCCCO2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SERPINE1 P05121 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OSBP P22059 1/20 0.30
OSBP2 Q969R2 1/20 0.30

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
SCHEMBL14511538 0.83 OSBP (0.31) OSBPOSBP2
SCHEMBL12118788 0.78 TSHR (0.40) CHRM2CHRM4CHRM1CHRM3TSHR
SCHEMBL567667 0.78 TSHR (0.40) CHRM2CHRM4CHRM1CHRM3TSHR
SCHEMBL2326051 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3SERPINE1
SCHEMBL2325790 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3SERPINE1
SCHEMBL2325787 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3SERPINE1
SCHEMBL2325783 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3SERPINE1
SCHEMBL5200339 0.77 BTK (0.37) MEN1KMT2A
SCHEMBL11087055 0.77 SMN1; SMN2 (0.37) CHRM2CHRM4CHRM3
SCHEMBL14141238 0.76

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786913-B1 METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-08-17 EP disclosed
US-7803950-B2 Method for the production of diarylcycloalkyl derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-09-28 US disclosed
US-7803950-B2 Method for the production of diarylcycloalkyl derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-09-28 US disclosed
US-20080051583-A1 NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20080051583-A1 NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20070197614-A1 METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197614-A1 METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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 (2 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-20080051583-A1 NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES PPARG, PPARD, PPARA CHRM2 820/4885CHRM4 1039/4885CHRM1 1219/4885
US-20070197614-A1 METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES PPARA, PPARD, PPARG CHRM2 284/4885CHRM4 487/4885CHRM1 616/4885

“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.