SCHEMBL4599002

SCHEMBL4599002

COc1cc(OCc2ccccc2)cc(OC)c1CN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
AOC3 Q16853 1/20 0.51
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL6701157 0.83 MAOB (0.61) MAOBPDGFRBPDGFRAMAPTGAA
SCHEMBL27998563 0.81 MAOB (0.59) MAOBPDGFRBPDGFRAGAASMN1; SMN2
SCHEMBL6696628 0.80 MAOB (0.57) MAOBPDGFRBPDGFRAMAPTGAA
SCHEMBL25282560 0.80 MAOB (0.57) MAOBPDGFRBPDGFRAMAPTGAA
SCHEMBL20781419 0.80 MAOB (0.54) MAOBAOC3MAPTGAASMN1; SMN2
SCHEMBL25245750 0.79 MAOB (0.49) MAOBPDGFRBPDGFRAMAPTGAA
Dimethylamine SCHEMBL25239231 0.79 MAOB (0.49) MAOBPDGFRBPDGFRAMAPTGAA
SCHEMBL27635062 0.78 MAOB (0.55) MAOBPDGFRBPDGFRAMAPTL3MBTL1
SCHEMBL2094271 0.78 MAOB (0.59) MAOBPDGFRBPDGFRAMAPTGAA
SCHEMBL7291737 0.77 MAOB (0.58) MAOBPDGFRBPDGFRAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
US-7138527-B2 Inflammatory, allergic and respiratory disorders; beta 2 adrenoceptors agonists; such as 5-(-2-((-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethyl)amino)propyl) -N-(2-methoxybenzyl)-1H-indole-2-carboxamide PFIZER INC. (US) 2006-11-21 US disclosed
EP-1556034-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050085526-A1 Indole derivatives useful for the treatment of diseases BROWN ALAN D (GB) 2005-04-21 US disclosed
US-6844362-B2 Indole derivatives useful for the treatment of diseases PFIZER INC (US) 2005-01-18 US disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US disclosed
WO-2004032921-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2004-04-22 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-20050085526-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT MAOB 23/4885AOC3 1461/4885PDGFRB 2411/4885

“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.