SCHEMBL4338587

SCHEMBL4338587

CC(=O)NCC(=O)Nc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
MAPK13 O15264 2/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 5/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
FFAR1 O14842 1/20 0.41
HIF1A Q16665 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
GAA P10253 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 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
SCHEMBL4338672 0.92 MAOB (0.51) MAPK14MAPK13MAOBPPARDPPARA
SCHEMBL3503430 0.85 HIF1A (0.43) MAPK14MAPK13MAPTHTTL3MBTL1
SCHEMBL4339548 0.84 LTA4H (0.47) MAOBMRGPRX4FFAR1MMEACE
SCHEMBL3502880 0.84 MAOB (0.57) MAPK14MAPK13MAOB
SCHEMBL4340548 0.84 MAOB (0.45) MAPK14MAPK13MAPTHTTL3MBTL1
SCHEMBL3504550 0.82 MAOB (0.60) MAOBMRGPRX4GAA
SCHEMBL4335013 0.76 MAOB (0.50) MAPK14MAPK13MAOBPPARDPPARA
SCHEMBL5617706 0.76 MAOB (0.55) MAOBMRGPRX4PPARDPPARA
SCHEMBL4334882 0.75 MAOB (0.54) MAOBMRGPRX4PPARDPPARA
SCHEMBL4346816 0.74 MAOB (0.49) MAPK14MAPK13MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US claimed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US claimed
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 US disclosed
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 US disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAPK14 2155/4885MAPK13 3021/4885MAPT 753/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAPK14 1870/4885MAPK13 2165/4885MAPT 2325/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAPK14 1846/4885MAPK13 2868/4885MAPT 692/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAPK14 2297/4885MAPK13 2516/4885MAPT 475/4885

“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.