SCHEMBL3423780

SCHEMBL3423780

Clc1cccc(COc2ccccc2CNCc2cccs2)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 2/20 0.49
CARM1 Q86X55 2/20 0.47
PRMT1 Q99873 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ENPP2 Q13822 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL3425323 0.86 LMNA (0.60) CYP1A2CYP3A4CYP2D6CYP2C19TDP1
SCHEMBL3428392 0.81 L3MBTL1 (0.61) TDP1L3MBTL1
SCHEMBL3423447 0.81 L3MBTL1 (0.76) TDP1L3MBTL1HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL27582483 0.77 CARM1 (0.58) CYP1A2CYP3A4CYP2C19L3MBTL1HTT
SCHEMBL8985647 0.76 MEN1 (0.51) CYP3A4CYP2D6CYP2C19HTTCARM1
SCHEMBL28039903 0.73 CYP3A4 (0.97) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27702461 0.73 CARM1 (0.64) CYP1A2CYP3A4CYP2C19CARM1PRMT1
SCHEMBL5646043 0.73 ENPP2 (0.62) CYP1A2CYP3A4CYP2C19CARM1PRMT1
SCHEMBL13388600 0.72 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C19TDP1
SCHEMBL21844358 0.72 GAA (0.60) L3MBTL1

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 CYP1A2 124/4885CYP3A4 270/4885CYP2D6 69/4885

“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.