SCHEMBL1431606

SCHEMBL1431606

O=C(O)c1ccc(OC2CC(N3CCCCC3)C2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
CPS1 P31327 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.38
PARP10 Q53GL7 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL1431608 1.00 HRH3 (0.48) HRH3PTGS1PTGS2HRH1CCR3
SCHEMBL1431961 0.85 HRH3 (0.52) HRH3HRH1CCR3MEN1KMT2A
SCHEMBL1431959 0.85 HRH3 (0.52) HRH3HRH1CCR3MEN1KMT2A
SCHEMBL1432116 0.83 MEN1 (0.50) HRH3CPS1MEN1KMT2A
SCHEMBL1432118 0.83 MEN1 (0.50) HRH3CPS1MEN1KMT2A
SCHEMBL1432192 0.81 CPS1 (0.43) HRH3CPS1MEN1KMT2AKCNH2
SCHEMBL1432190 0.81 CPS1 (0.43) HRH3CPS1MEN1KMT2AKCNH2
SCHEMBL13699180 0.81 OPRK1 (0.54) HRH3PTGS1PTGS2MEN1KMT2A
SCHEMBL1432196 0.81 MEN1 (0.48) HRH3CPS1MEN1KMT2A
SCHEMBL1432198 0.81 MEN1 (0.48) HRH3CPS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524344-A 2011-09-01 JP claimed
US-20110098300-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2011-04-28 US claimed
EP-2300426-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2011-03-30 EP claimed
WO-2009147149-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-12-10 WO claimed
US-20110098300-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2011-04-28 US disclosed
EP-2300426-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2011-03-30 EP disclosed
WO-2009147149-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-12-10 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-20110098300-A1 Compounds Comprising A Cyclobutoxy Group CHAT, BACE1, GRIN2B HRH3 566/4885PTGS1 1818/4885PTGS2 2143/4885

“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.