SCHEMBL6923742

SCHEMBL6923742

Brc1ccc(Oc2ccc(CC3CCNCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.54
SLC6A4 P31645 5/20 0.47
KDM1A O60341 1/20 0.40
EP300 Q09472 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KHK P50053 1/20 0.39
MAPT P10636 1/20 0.39
HRH1 P35367 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL578602 0.90 GBA1 (0.66) GBA1SLC6A4KDM1AEP300SLC6A2
SCHEMBL6925834 0.86 GBA1 (0.50) GBA1SLC6A4KDM1AEP300SLC6A2
SCHEMBL7526770 0.85 GBA1 (0.71) GBA1SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL6926578 0.84 GBA1 (0.54) GBA1SLC6A4EP300SLC6A2SLC6A3
SCHEMBL6922681 0.84 GBA1 (0.54) GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL6926396 0.81 SLC6A2 (0.52) GBA1SLC6A4KDM1ASLC6A2SLC6A3
SCHEMBL6929847 0.80 GBA1 (0.50) GBA1SLC6A4KDM1AHTR2CMMP2
SCHEMBL6922709 0.80 GBA1 (0.50) GBA1SLC6A4KDM1ASLC6A2HTR2C
SCHEMBL6928734 0.80 GBA1 (0.50) GBA1SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1994022 0.80 GBA1 (0.52) GBA1SLC6A4KDM1AEP300SLC6A2

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
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 claimed
US-20020038031-A1 New 4 - substituted piperidines ORJALES VENERO AURELIO (ES) 2002-03-28 US claimed
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 claimed
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 GBA1 1368/4885SLC6A4 11/4885KDM1A 2854/4885

“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.