SCHEMBL3844065

SCHEMBL3844065

O=S(=O)(O)CCCC1CCC2(CC1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.32
APP P05067 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 2/20 0.31
SCN5A Q14524 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 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
SCHEMBL28870879 0.95 GPR119 (0.43) GPR119LMNAMAPK1ALDH1A1L3MBTL1
SCHEMBL28409048 0.94 GPR119 (0.44) GPR119LMNAMAPK1ALDH1A1L3MBTL1
SCHEMBL7056630 0.79 INPP5A (0.40) GPR119LMNAMAPK1ALDH1A1L3MBTL1
SCHEMBL2570161 0.78 APP (0.38) LMNAALDH1A1APPHPGDKMT2A
SCHEMBL3105507 0.78 APP (0.44) LMNAMAPK1ALDH1A1APPHPGD
SCHEMBL4121215 0.77 GPR119 (0.42) GPR119KMT2AMEN1
SCHEMBL28386238 0.74 APP (0.41) LMNAALDH1A1APPKMT2AMEN1
SCHEMBL6114858 0.74 CYP1A2 (0.43) ALDH1A1APPHPGDKMT2AMEN1
SCHEMBL3406659 0.73 GPR119 (0.44) GPR119LMNAMAPK1ALDH1A1TSHR
SCHEMBL1193411 0.73 SIGMAR1 (0.41) GPR119CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO disclosed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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 (1 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 GPR119 61/4885LMNA 4869/4885MAPK1 2757/4885

“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.