SCHEMBL3890476

SCHEMBL3890476

c1ccc(Oc2ccc(CC3CCCNC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.59
GBA1 P04062 1/20 0.46
KMT2A Q03164 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
LTA4H P09960 4/20 0.43
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL13576621 1.00 EED (0.59) EEDGBA1KMT2ACHRNB2CHRNA4
SCHEMBL8547993 0.86 EED (0.61) EEDGBA1KMT2ACHRNB2CHRNA4
SCHEMBL1761058 0.86 EED (0.61) EEDGBA1KMT2ACHRNB2CHRNA4
SCHEMBL3473180 0.86 EED (0.61) EEDGBA1KMT2ACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3914926 0.84 EED (0.60) EEDGBA1KMT2ACHRNB2CHRNA4
SCHEMBL3897098 0.84 EED (0.58) EEDSLC6A2SLC6A4SLC6A3CHRNB4
Hydrochloric Acid SCHEMBL7068731 0.83 EED (0.58) EEDGBA1KMT2ACHRNB2CHRNA4
SCHEMBL3163390 0.82 EED (0.70) EEDHRH4HRH3
SCHEMBL13576644 0.82 EED (0.70) EEDHRH4HRH3
SCHEMBL7526770 0.81 GBA1 (0.71) GBA1SLC6A2SLC6A4SLC6A3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002794-B1 4-¬(Aryl)(aryloxy)methyl piperidine derivatives and their use as serotonin and/or noradrenaline reuptake inhibitors FAES FABRICA ESPANOLA DE PRODU (ES) 2009-02-04 EP disclosed
US-6518284-B2 For inhibiting the serotonin and/or noradrenaline reuptake, and are useful as medicaments in disorders in which an increase of levels of those neurotransmitters is necessary FAES, FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS S.A. (ES) 2003-02-11 US disclosed
US-20020038031-A1 New 4 - substituted piperidines ORJALES VENERO AURELIO (ES) 2002-03-28 US disclosed
EP-1002794-A1 4-[(Aryl)(aryloxy)methyl]piperidine derivatives and their use as serotonin and/or noradrenaline reuptake inhibitors FAES, Fabrica Espanola de Productos Quimicos y Farmaceuticos, S.A. (ES) 2000-05-24 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-20020038031-A1 New 4 - substituted piperidines ADRA2C, ADRB2, ADRB1 EED 3642/4885GBA1 1368/4885KMT2A 3762/4885

“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.