SCHEMBL811554

SCHEMBL811554

Nc1cc(OCc2ccc3ccccc3n2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.53
GPBAR1 Q8TDU6 8/20 0.50
CYSLTR1 Q9Y271 6/20 0.50
CYSLTR2 Q9NS75 2/20 0.50
ALOX5AP P20292 1/20 0.47

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
SCHEMBL811071 0.81 PARP10 (0.46)
SCHEMBL811055 0.81 MRGPRX4 (0.39) PDE10AALOX5AP
SCHEMBL6583310 0.79 CYSLTR1 (0.78) PDE10AGPBAR1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL811334 0.78 CYP1A2 (0.55)
Hydrogen Sulfide SCHEMBL9818430 0.78 CYSLTR1 (0.76) PDE10AGPBAR1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL810520 0.77 PARP10 (0.48)
SCHEMBL8734106 0.76 PDE10A (0.66) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL10512475 0.75 PDE10A (0.77) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL810856 0.74 MAOB (0.44) ALOX5AP
SCHEMBL810986 0.74 PIM1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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 (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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE10A 4218/4885GPBAR1 1851/4885CYSLTR1 4364/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE10A 4218/4885GPBAR1 1851/4885CYSLTR1 4364/4885

“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.