SCHEMBL3081834

SCHEMBL3081834

Fc1ccc(OCCCBr)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
AOC3 Q16853 1/20 0.44
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 1/20 0.39
FFAR1 O14842 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
MAOA P21397 2/20 0.36
ALDH2 P05091 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL6396448 0.92 MAOB (0.41) MAOBAOC3NPC1MAPTRAB9A
SCHEMBL5706897 0.90 MAOB (0.45) MAOBAOC3NPC1MAPTRAB9A
SCHEMBL30025481 0.90 MAOB (0.45) MAOBAOC3NPC1MAPTRAB9A
SCHEMBL5314364 0.83 GPR84 (0.49) FFAR1PPARGPPARDFFAR4
SCHEMBL21050144 0.83 KDM4E (0.45) NPC1MAPTGRM2FFAR1PPARG
SCHEMBL29518030 0.83 GPR84 (0.49) FFAR1PPARGPPARDFFAR4
SCHEMBL14084030 0.82 MAOB (0.53) MAOBAOC3GRM2FFAR1PPARG
SCHEMBL4194831 0.82 MAOB (0.45) MAOBAOC3GRM2FFAR1PPARG
SCHEMBL21113969 0.79 NSD2 (0.44) MAOBNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4856586 0.79 MAOB (0.54) MAOBAOC3SMN1; SMN2SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (4 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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E MAOB 194/4885AOC3 1352/4885NPC1 3689/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 MAOB 43/4885AOC3 103/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MAOB 43/4885AOC3 103/4885NPC1 794/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E MAOB 194/4885AOC3 1352/4885NPC1 3689/4885

“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.