SCHEMBL2801642

SCHEMBL2801642

COc1nccc2c1COC2=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
HCRTR1 O43613 8/20 0.43
HCRTR2 O43614 8/20 0.43
KCNJ1 P48048 2/20 0.41
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.38
PDE4D Q08499 1/20 0.38
ALOX5 P09917 3/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL19566073 0.77 KCNJ1 (0.47) ACHEHCRTR1HCRTR2KCNJ1KCNH2
SCHEMBL18196008 0.77 HCRTR1 (0.56) ACHEHCRTR1HCRTR2KCNJ1KCNH2
SCHEMBL19564471 0.77 KCNJ1 (0.44) ACHEHCRTR1HCRTR2KCNJ1CYP3A4
SCHEMBL2200286 0.74 KCNJ1 (0.44) ACHEHCRTR1HCRTR2KCNJ1KCNH2
SCHEMBL16856481 0.72 HCRTR1 (0.52) HCRTR1HCRTR2KCNJ1PDE4D
SCHEMBL6431761 0.71 BRD4 (0.30)
SCHEMBL6431756 0.71 BRD4 (0.30)
SCHEMBL31162811 0.70 ACHE (0.53) ACHEKCNJ1CYP3A4PDE4D
SCHEMBL78687 0.70 ACHE (0.53) ACHEKCNJ1CYP3A4PDE4D
SCHEMBL4963310 0.70 ALOX5 (0.45) ACHEKCNJ1ALOX5

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
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2010-07-01 US disclosed
US-7705155-B2 Processes for the production of useful intermediates SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2010-04-27 US disclosed
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2009-10-01 US disclosed
US-20070167475-A1 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2007-07-19 US disclosed
EP-1794127-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-13 EP disclosed
WO-2006033011-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2006-03-30 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 (3 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-20070167475-A1 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY ACHE 4130/4885HCRTR1 4816/4885HCRTR2 4795/4885
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY ACHE 4130/4885HCRTR1 4816/4885HCRTR2 4795/4885
US-20100168426-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES PGD, TALDO1, COASY ACHE 4130/4885HCRTR1 4816/4885HCRTR2 4795/4885

“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.