SCHEMBL3064569

SCHEMBL3064569

CC(C)(NCc1ccc(OCc2ccc(F)cc2)cc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.58
PARP10 Q53GL7 1/20 0.58
NR4A2 P43354 1/20 0.52
PPARA Q07869 3/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MAOA P21397 2/20 0.47
SCN9A Q15858 1/20 0.47

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
SCHEMBL919163 0.88 SCN9A (0.47) MAOBPARP10SCN9A
SCHEMBL3971405 0.87 NPC1 (0.56) MAOBNR4A2PPARAMAOA
SCHEMBL1067948 0.87 MAOB (0.65) MAOBPARP10NR4A2PPARAMAOA
SCHEMBL13958849 0.83 MAOB (0.57) MAOBPARP10NR4A2PPARACA12
SCHEMBL920177 0.83 SCN3A (0.65) MAOBPARP10SCN9A
SCHEMBL3969644 0.79 MAOB (0.57) MAOBMAOA
SCHEMBL3967573 0.79 PARP15 (0.60) MAOBPARP10MAOASCN9A
SCHEMBL919293 0.79 SCN9A (0.42) MAOBMAOASCN9A
SCHEMBL28500733 0.78 MAOB (0.61) MAOBPARP10NR4A2CA12CA1
SCHEMBL920257 0.78 FAAH (0.47) PARP10SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842143-B3 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2009-02-18 EP claimed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP claimed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US claimed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP claimed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO claimed
US-20100267835-A1 Methods of treating disorders of trigeminalvascular activation NEWRON PHARMACEUTICALS SPA (IT) 2010-10-21 US disclosed
US-7709523-B2 Alpha-aminoamide derivatives useful as antimigraine agents NEWRON PHARMACEUTICALS SPA (IT) 2010-05-04 US disclosed
EP-0842143-B3 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2009-02-18 EP disclosed
EP-1585510-B1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS NEWRON PHARM SPA (IT) 2007-12-05 EP disclosed
US-20060079570-A1 Alpha-aminoamide derivatives useful as antimigraine agents NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-04-13 US disclosed
EP-1585510-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS Newron Pharmaceuticals S.p.A. (IT) 2005-10-19 EP disclosed
WO-2004062655-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANTIMIGRAINE AGENTS NEWRON PHARMACEUTICALS SPA (IT) 2004-07-29 WO disclosed
EP-1438956-A1 Alpha-aminoamide derivatives useful as antimigraine agents Newron Pharmaceuticals S.p.A. (IT) 2004-07-21 EP disclosed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP disclosed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP disclosed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 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 (2 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-20060079570-A1 Alpha-aminoamide derivatives useful as antimigraine agents AANAT, FAAH, ACHE MAOB 184/4885PARP10 1504/4885NR4A2 4122/4885
US-20100267835-A1 Methods of treating disorders of trigeminalvascular activation MVD, TBXA2R, BDKRB2 MAOB 236/4885PARP10 3049/4885NR4A2 2813/4885

“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.