SCHEMBL6928758

SCHEMBL6928758

N#Cc1ccc(Oc2ccc(CC3CCNCC3)cc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
GBA1 P04062 1/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
NOS2 P35228 5/20 0.39
NOS3 P29474 4/20 0.39
NOS1 P29475 4/20 0.39
SCN9A Q15858 1/20 0.39
PGR P06401 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL6922689 0.84 PRMT5 (0.51) GBA1SLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL6926396 0.82 SLC6A2 (0.52) GBA1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL6928757 0.81 AR (0.53) ARSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL6927185 0.80 MGLL (0.50) GBA1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL6929247 0.78 GBA1 (0.51) GBA1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL6927955 0.77 SLC6A2 (0.52) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL6923245 0.76 SLC6A4 (0.44) GBA1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL4969971 0.75 PGR (0.58) ARSLC6A2SLC6A4SLC6A3NOS2
SCHEMBL7526770 0.74 GBA1 (0.71) GBA1SLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL4228810 0.74 PGR (0.57) ARSLC6A2SLC6A4SLC6A3NOS2

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 3 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

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 AR 1631/4885GBA1 1368/4885SLC6A2 12/4885

“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.