SCHEMBL3422706

SCHEMBL3422706

Cc1csc(CNCc2ccc(OCc3cccc(Cl)c3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.51
MAOB P27338 4/20 0.50
DHFR P00374 1/20 0.48
MAOA P21397 1/20 0.46
BCHE P06276 1/20 0.45
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3427764 0.78 SMN1; SMN2 (0.69) GID4MAOBBCHE
SCHEMBL3425326 0.77 GID4 (0.52) GID4MAOBMAOABCHEALOX5
SCHEMBL3428392 0.76 L3MBTL1 (0.61) GID4MAOBBCHE
SCHEMBL3428344 0.75 MAPK1 (0.70) GID4MAOB
SCHEMBL3423186 0.74 GID4 (0.54) GID4MAOBMAOABCHEALOX5
SCHEMBL3424863 0.74 SMARCA2 (0.69) GID4MAOBBCHE
SCHEMBL3423723 0.73 GID4 (0.55) GID4MAOBBCHE
SCHEMBL3423334 0.72 GID4 (0.54) GID4MAOBMAOA
SCHEMBL3422124 0.72 GID4 (0.54) GID4MAOBBCHE
SCHEMBL3427197 0.72 GID4 (0.54) GID4MAOBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649005-B2 (R)(4-Pentyloxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine; monoamine oxidase inhibitors; neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-01-19 US claimed
US-20070135496-A1 Substituted benzylaminoalkylene heterocycles NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 US claimed
EP-1673356-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES Newron Pharmaceuticals S.p.A. (IT) 2006-06-28 EP claimed
WO-2005040138-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO claimed
EP-1524267-A1 Substituted benzylaminoalkylene heterocycles Newron Pharmaceuticals S.p.A. (IT) 2005-04-20 EP claimed
US-7649005-B2 (R)(4-Pentyloxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine; monoamine oxidase inhibitors; neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-01-19 US disclosed
US-20070135496-A1 Substituted benzylaminoalkylene heterocycles NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 US disclosed
EP-1673356-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES Newron Pharmaceuticals S.p.A. (IT) 2006-06-28 EP disclosed
WO-2005040138-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO disclosed
EP-1524267-A1 Substituted benzylaminoalkylene heterocycles Newron Pharmaceuticals S.p.A. (IT) 2005-04-20 EP 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 (1 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-20070135496-A1 Substituted benzylaminoalkylene heterocycles HTR7, MAOB, CYP2A7 GID4 3016/4885MAOB 2/4885DHFR 2507/4885

“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.