SCHEMBL4339548

SCHEMBL4339548

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAOB P27338 9/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
NR4A2 P43354 1/20 0.44
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KIF11 P52732 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
SCHEMBL5617706 0.91 MAOB (0.55) LTA4HCA1CA2MAOBMRGPRX4
SCHEMBL4340548 0.90 MAOB (0.45) MAOBMRGPRX4NR4A2FFAR1KIF11
SCHEMBL3503430 0.86 HIF1A (0.43) MAOBMRGPRX4MMEACECPA1
SCHEMBL4338587 0.84 MAPK14 (0.44) MAOBMRGPRX4PPARDPPARAMME
SCHEMBL4339933 0.83 MAOB (0.55) LTA4HCA1CA2MAOBNR4A2
SCHEMBL4334882 0.81 MAOB (0.54) MAOBMRGPRX4PPARDPPARAKIF11
Hydrochloric Acid SCHEMBL4341157 0.79 MAOB (0.59) LTA4HMAOBNR4A2
SCHEMBL4335013 0.77 MAOB (0.50) MAOBPPARDPPARA
SCHEMBL4421346 0.76 MRGPRX4 (0.56) MAOBMRGPRX4NR4A2PPARDPPARA
SCHEMBL4338672 0.76 MAOB (0.51) MAOBPPARDPPARA

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 11 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
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 LTA4H 762/4885CA1 2195/4885CA2 3088/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 LTA4H 3005/4885CA1 4665/4885CA2 3264/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 LTA4H 763/4885CA1 2387/4885CA2 3384/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 LTA4H 1444/4885CA1 3143/4885CA2 3802/4885

“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.