SCHEMBL587015

SCHEMBL587015

COc1cc(Cl)ccc1CCC#N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 10/20 0.45
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 3/20 0.41
KCNH2 Q12809 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TRPV4 Q9HBA0 1/20 0.40
HTR2A P28223 1/20 0.40
CHEK1 O14757 1/20 0.39
ACLY P53396 1/20 0.39

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
SCHEMBL988827 0.83 SLC6A4 (0.46) PTGES2SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL27869012 0.80 PYCR1 (0.49) HTR2ACHEK1
SCHEMBL9921408 0.79 HMGCR (0.47) PTGES2SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL1569795 0.77 TAAR1 (0.61) HTR2A
SCHEMBL20761848 0.77 HTT (0.46) PTGES2SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL11503227 0.77 PTGES2 (0.46) PTGES2SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL6239161 0.77 PTGES2 (0.46) PTGES2SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL28630653 0.77 IDO1 (0.50) CHEK1
SCHEMBL11313806 0.76 MAPT (0.59) PTGES2SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL1571623 0.76 TAAR1 (0.59) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 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 (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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS PTGES2 434/4885SLC6A4 438/4885SLC6A2 621/4885

“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.