SCHEMBL3236352

SCHEMBL3236352

O=C1CCc2c(cc(OCc3ccccc3)cc2C2CO2)N1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.57
MAOA P21397 13/20 0.57
CREBBP Q92793 1/20 0.47
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADAMTS5 Q9UNA0 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
SCHEMBL1764115 0.81 MAOB (0.47) MAOBMAOACREBBPNPC1ALDH1A1
SCHEMBL31454793 0.81 MAOB (0.47) MAOBMAOACREBBPNPC1ALDH1A1
SCHEMBL561097 0.81 MAOB (0.47) MAOBMAOACREBBPNPC1ALDH1A1
SCHEMBL14724471 0.79 DRD2 (0.44) MAOBMAOANPC1
SCHEMBL632729 0.77 MAOB (0.59) MAOBMAOACREBBPCYP19A1CYP11B1
SCHEMBL6721655 0.73 MAOB (1.00) MAOBMAOACREBBP
SCHEMBL31414465 0.73 MAOB (1.00) MAOBMAOACREBBP
SCHEMBL632836 0.71 CTSV (0.50) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2236580 0.70 MAOB (1.00) MAOBMAOACREBBP
SCHEMBL17543747 0.70 MAOB (0.53) MAOBMAOACREBBPSMN1; SMN2CYP19A1

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
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
EP-1613315-B1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2009-01-21 EP disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
EP-1613315-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES Novartis AG (CH) 2006-01-11 EP disclosed
WO-2004087142-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2004-10-14 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 MAOB 1058/4885MAOA 1176/4885CREBBP 1416/4885

“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.