SCHEMBL1665718

SCHEMBL1665718

C[C@@H](CNS(C)(=O)=O)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.62
MAOA P21397 1/20 0.62
SCN9A Q15858 1/20 0.62
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
GRM5 P41594 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
PPARA Q07869 1/20 0.47
BCHE P06276 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
SCHEMBL2940856 1.00 MAOB (0.62) MAOBMAOASCN9AADAMTS4MMP13
SCHEMBL1672184 1.00 MAOB (0.62) MAOBMAOASCN9AADAMTS4MMP13
Water SCHEMBL1672694 0.99 MAOB (0.61) MAOBMAOASCN9AADAMTS4MMP13
Water SCHEMBL1672445 0.99 MAOB (0.61) MAOBMAOASCN9AADAMTS4MMP13
SCHEMBL6431395 0.90 MAOB (0.61) MAOBMAOASCN9AADAMTS4MMP13
SCHEMBL8640665 0.89 MAOB (0.49) MAOBMAOASCN9ABCHE
SCHEMBL8637848 0.89 MAOB (0.48) MAOBMAOASCN9ABCHE
SCHEMBL1665416 0.88 MAOB (0.56) MAOBMAOASCN9AADAMTS4MMP13
Hydrochloric Acid SCHEMBL8636522 0.88 MAOB (0.48) MAOBMAOASCN9ABCHE
SCHEMBL2167377 0.87 MAOB (0.50) MAOBMAOAADAMTS4MMP13BCHE

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011047767-A1 NOVEL POLYMORPHIC FORMS OF (S)-2-[-4-(3-FLUORO-BENZYLOXY)-BENZYLAMINO]-PROPIONAMIDE MESYLATE SALT AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2011-04-28 WO claimed
EP-2314569-A1 Novel polymorphic forms of (S)-2-[4-(3-Fluoro-benzyloxy)-benzylamino]-propionamide mesylate salt and processes of manufacturing thereof Merck Patent GmbH (DE) 2011-04-27 EP claimed
EP-3257842-B1 THERAPEUTIC USE OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE NEWRON PHARM SPA (IT) 2020-11-18 EP disclosed
EP-3257842-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE Newron Pharmaceuticals S.p.A. (IT) 2017-12-20 EP disclosed
EP-2229351-B1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE NEWRON PHARM SPA (IT) 2017-11-08 EP disclosed
EP-2474521-B1 High purity degree 2-[4-(3- and 2-fluorobenzyloxy)benzylamino]propanamides for use as medicaments and pharmaceutical formulations containing them NEWRON PHARM SPA (IT) 2016-08-10 EP disclosed
EP-2029524-B1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPAN AMIDES NEWRON PHARM SPA (IT) 2014-11-26 EP disclosed
US-8846763-B2 High purity 2-[4-(3- or 2-fluorobenzyloxy)benzylamino] propanamides and methods of use thereof NEWRON PHARMACEUTICALS, S.P.A. (IT) 2014-09-30 US disclosed
US-20140051758-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO] PROPANAMIDES AND METHODS OF USE THEREOF NEWRON PHARMACEUTICALS S.P.A. (IT) 2014-02-20 US disclosed
US-8530701-B2 High purity 2-[4-(3- OR 2-fluorobenzyloxy)benzylamino]propanamides and methods of use thereof NEWRON PHARMACEUTICALS, S.P.A. (IT) 2013-09-10 US disclosed
US-8278485-B2 Process for the production of 2-[4-(3- and 2-fluorobenzyloxy) benzylamino] propanamides NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-10-02 US disclosed
US-20050026909-A1 Method of treating lower urinary tract disorders DYNOGEN, INC. 2005-02-03 US disclosed
US-20050020577-A1 Method of treating lower urinary tract disorders DYNOGEN, INC. 2005-01-27 US disclosed
US-6846823-B2 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
US-20040248979-A1 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. 2004-12-09 US disclosed
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-28 US disclosed
WO-2004089288-A2 METHOD OF TREATING LOWER URINARY TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-21 WO disclosed
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-21 US disclosed
US-20040209869-A1 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. 2004-10-21 US disclosed
WO-2004066987-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 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 (7 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-20040248979-A1 Method of treating lower urinary tract disorders RYR2, CACNA1S, CACNA1D MAOB 515/4885MAOA 660/4885SCN9A 1931/4885
US-20140051758-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO] PROPANAMIDES AND METHODS OF USE THEREOF KCNH3, KCNB2, KCNH2 MAOB 149/4885MAOA 473/4885SCN9A 146/4885
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators SLC10A2, VIPR2, TRPV1 MAOB 987/4885MAOA 995/4885SCN9A 60/4885
US-20050020577-A1 Method of treating lower urinary tract disorders HTR3A, HTR3B, HTR3C MAOB 9/4885MAOA 15/4885SCN9A 3943/4885
US-20040209869-A1 Method of treating lower urinary tract disorders HTR3A, HTR3B, MME MAOB 8/4885MAOA 13/4885SCN9A 3969/4885
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators CACNA1G, CACNA1D, CACNA1B MAOB 845/4885MAOA 983/4885SCN9A 62/4885
US-20050026909-A1 Method of treating lower urinary tract disorders HTR3A, HTR3B, HTR3C MAOB 9/4885MAOA 15/4885SCN9A 3943/4885

“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.