SCHEMBL810302

SCHEMBL810302

O=[N+]([O-])c1cc(OCc2ccc3ccccc3n2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.56
CYSLTR1 Q9Y271 9/20 0.53
CYSLTR2 Q9NS75 4/20 0.53
GPBAR1 Q8TDU6 7/20 0.52
ALOX5 P09917 1/20 0.47
CYP1A2 P05177 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
SCHEMBL16046772 0.86 PDE10A (0.56) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL16044521 0.83 PDE10A (0.56) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL10686237 0.82 PDE10A (0.68) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL8799759 0.81 CYSLTR1 (0.57) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8800062 0.81 PDE10A (0.54) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL810027 0.80 TLR4 (0.53)
SCHEMBL2567854 0.80 LMNA (0.69) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL5779125 0.79 CYSLTR1 (0.62) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL2566156 0.79 PDE10A (0.57) PDE10ACYP1A2
SCHEMBL10512475 0.77 PDE10A (0.77) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2

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 4218/4885CYSLTR1 4364/4885CYSLTR2 4514/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE10A 4218/4885CYSLTR1 4364/4885CYSLTR2 4514/4885

“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.