SCHEMBL978216

SCHEMBL978216

O=Cc1ccc(OCc2ccccc2)c(Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.60
MAOB P27338 4/20 0.60
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PTGER1 P34995 2/20 0.48
TACR2 P21452 1/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
ELANE P08246 3/20 0.46
F2 P00734 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL1897186 0.89 MAOA (0.59) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL2932209 0.88 MAOA (0.57) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL6819289 0.88 MAOA (0.56) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL2933661 0.87 MAOA (0.56) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL5213883 0.87 MAOA (0.68) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL5883140 0.85 MAOA (0.55) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL29446267 0.85 TACR2 (0.62) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL584489 0.85 TACR2 (0.62) MAOAMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4003173 0.84 DRD2 (0.54) MAOAMAOBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL19251015 0.84 MAOA (0.46) MAOAMAOBALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US 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-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2014-10-09 US 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-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-8785681-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2014-07-22 US disclosed
EP-2125711-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE Albireo Ab (SE) 2009-12-02 EP disclosed
US-20090156678-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-06-18 US disclosed
US-20090156678-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-06-18 US disclosed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 WO disclosed
WO-2007147491-A1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLU0R0BENZYL0XY) BENZYLAMIN0] PROPAN AMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-12-27 WO disclosed
CN-1206212-C Tri-substd. phenyl derivs. and analogues ASTRAZENECA AB (SE) 2005-06-15 CN disclosed
US-6750252-B2 FOR USE IN CLINICAL CONDITIONS ASSOCIATED WITH INSULIN RESISTANCE ASTRAZENECA AB (SE) 2004-06-15 US disclosed
EP-1237856-B1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES ASTRAZENECA AB (SE) 2004-05-12 EP disclosed
US-20030149104-A1 Tri-substituted phenyl derivatives and analogues ASTRAZENECA AB (SE) 2003-08-07 US disclosed
CN-1402703-A Tri-substd. phenyl derivs. and analogues ASTRAZENECA AB (SE) 2003-03-12 CN 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 (3 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-20090156678-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES PTMA, PSMB2, PDGFRA MAOA 200/4885MAOB 129/4885ALDH1A1 593/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 MAOA 2346/4885MAOB 1929/4885ALDH1A1 852/4885
US-20030149104-A1 Tri-substituted phenyl derivatives and analogues GPR119, IAPP, INSR MAOA 1751/4885MAOB 934/4885ALDH1A1 1691/4885

“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.