SCHEMBL6922709

SCHEMBL6922709

FC(F)(F)c1ccc(Oc2ccc(CC3CCNCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
LTA4H P09960 2/20 0.48
HTR2C P28335 2/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
TEAD1 P28347 2/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
LIPE Q05469 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
PRMT5 O14744 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL894468 0.91 GBA1 (0.59) GBA1HTR2CSLC6A2SLC6A4TEAD1
Hydrochloric Acid SCHEMBL4773715 0.89 GBA1 (0.58) GBA1HTR2CSLC6A2SLC6A4TEAD1
SCHEMBL13279963 0.87 MAOB (0.55) GBA1HTR2CMAOBPRMT5
SCHEMBL6929847 0.85 GBA1 (0.50) GBA1HTR2CSLC6A4MMP2MMP3
Hydrochloric Acid SCHEMBL22462991 0.84 GBA1 (0.51) GBA1HTR2CSLC6A2SLC6A4TEAD1
SCHEMBL6922681 0.83 GBA1 (0.54) GBA1LTA4HSLC6A2SLC6A4
SCHEMBL28933802 0.81 HTR2C (0.49) GBA1HTR2CSLC6A2SLC6A4TEAD1
SCHEMBL8227791 0.81 HTR2C (0.49) GBA1HTR2CSLC6A2SLC6A4TEAD1
SCHEMBL7526770 0.81 GBA1 (0.71) GBA1LTA4HSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL23632761 0.80 HTR2C (0.50) GBA1HTR2CSLC6A2SLC6A4TEAD1

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 1368/4885LTA4H 1953/4885HTR2C 27/4885

“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.