SCHEMBL6413756

SCHEMBL6413756

O=C(OCCCCN(C(=O)c1ccc2ccccc2c1)C1CCN(C(=O)O)CC1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
DRD3 P35462 1/20 0.49
SLC6A4 P31645 4/20 0.48
KCNH2 Q12809 2/20 0.48
BCHE P06276 6/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
DRD4 P21917 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL6439473 0.87 SLC6A4 (0.53) DRD3SLC6A4KCNH2BCHENPC1
SCHEMBL6449429 0.77 SLC6A4 (0.48) SLC6A4KCNH2BCHENPC1RAB9A
SCHEMBL6411523 0.74 SLC6A4 (0.67) SLC6A4KCNH2NPC1RAB9ASLC6A2
SCHEMBL6454014 0.73 SLC6A4 (0.65) SLC6A4KCNH2NPC1RAB9ASLC6A2
SCHEMBL6418906 0.72 SLC6A4 (0.53) SLC6A4KCNH2BCHENPC1RAB9A
SCHEMBL4570310 0.71 HRH3 (0.66) HRH3DRD3NPC1RAB9AKDM4E
SCHEMBL11694424 0.70 HRH3 (0.56) HRH3DRD3KDM4EMAPTHTT
SCHEMBL16606233 0.69 HRH3 (0.60) HRH3DRD3NPC1KDM4EMAPT
SCHEMBL27691343 0.69 HRH3 (0.64) HRH3DRD3NPC1RAB9AKDM4E
SCHEMBL16606225 0.68 HRH3 (0.59) HRH3DRD3NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 US 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A HRH3 61/4885DRD3 28/4885SLC6A4 1/4885

“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.