SCHEMBL3773471

SCHEMBL3773471

CS(=O)(=O)O.C[C@@H](NCc1ccc(OCc2ccccc2F)c(Cc2cccc(F)c2)c1)C(N)=O

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 8/20 0.55
SCN9A Q15858 2/20 0.59
MAOA P21397 5/20 0.55
CD274 Q9NZQ7 2/20 0.42

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
SCHEMBL3773467 1.00 SCN9A (0.59) SCN9AMAOBMAOACD274
SCHEMBL2939110 0.92 MAOB (0.66) SCN9AMAOBMAOA
SCHEMBL2936910 0.92 MAOB (0.66) SCN9AMAOBMAOA
SCHEMBL2938202 0.92 MAOB (0.66) SCN9AMAOBMAOA
SCHEMBL2934211 0.91 SCN9A (0.65) SCN9AMAOBMAOACD274
SCHEMBL2933335 0.91 SCN9A (0.65) SCN9AMAOBMAOACD274
SCHEMBL2933340 0.91 SCN9A (0.65) SCN9AMAOBMAOACD274
SCHEMBL15479181 0.89 MAOB (0.64) SCN9AMAOBMAOA
SCHEMBL30569984 0.88 MAOB (0.70) SCN9AMAOBMAOA
SCHEMBL30569967 0.88 MAOB (0.70) SCN9AMAOBMAOA

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 6 patents. 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
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-20100324141-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES AND METHODS OF USE THEREOF NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-23 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 (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-20140051758-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO] PROPANAMIDES AND METHODS OF USE THEREOF KCNH3, KCNB2, KCNH2 MAOB 149/4885SCN9A 146/4885MAOA 473/4885
US-20100324141-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES AND METHODS OF USE THEREOF PDE7A, PDE8B, PDE9A MAOB 53/4885SCN9A 147/4885MAOA 179/4885

“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.