SCHEMBL127226

SCHEMBL127226

FC(F)Oc1ccc(Br)cc1OC1CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.48
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
HTR6 P50406 3/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43

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
SCHEMBL681776 0.93 PDE4B (0.53) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL131273 0.93 PDE4A (0.50) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL682486 0.83 MAPK1 (0.43) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL133005 0.79 PDE4A (0.50) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL31096114 0.79 PDE4A (0.50) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL131011 0.78 PDE4B (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL2410034 0.77 PDE4B (0.46) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL31697091 0.77 FPR2 (0.49) SLC6A4HTR6
SCHEMBL16695161 0.77 FPR2 (0.49) SLC6A4HTR6
SCHEMBL34469904 0.77 SLC6A4 (0.43) SLC6A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 SLC6A4 1359/4885PDE4A 3035/4885PDE4B 3261/4885

“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.