SCHEMBL630277

SCHEMBL630277

Nc1cc2c(cc1OCc1ccccc1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
MAOB P27338 4/20 0.47
MAOA P21397 3/20 0.47
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
RXRB P28702 4/20 0.43
RXRA P19793 3/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRG P48443 2/20 0.42
APP P05067 1/20 0.41
KDM1A O60341 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL3133767 0.81 LTA4H (0.55) MAOBMAOALTA4HMAPK14L3MBTL1
SCHEMBL629804 0.79 CHRNA7 (0.41) CHRNA7HRH3
SCHEMBL3002216 0.76 ALOX5 (0.55) MAOBMAOALTA4HMAPK14MRGPRX4
SCHEMBL29375277 0.76 ALOX5 (0.55) MAOBMAOALTA4HMAPK14MRGPRX4
SCHEMBL8313819 0.75 LTA4H (0.56) MAOBMAOALTA4HMAPK14L3MBTL1
SCHEMBL629877 0.75 POLB (0.55) CHRNA7MAOBMAOARXRBRXRA
SCHEMBL4644108 0.75 L3MBTL1 (0.55) MAOBMAOALTA4HMAPK14RXRB
SCHEMBL3920530 0.75 LTA4H (0.49) MAOBMAOALTA4HMAPK14MRGPRX4
SCHEMBL11189258 0.75 CYP1A2 (0.50) CHRNA7MAOBMAOALTA4HMAPK14
SCHEMBL7278343 0.74 MAOA (0.68) MAOBMAOAMRGPRX4

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
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC CHRNA7 4601/4885MAOB 1091/4885MAOA 1695/4885

“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.