SCHEMBL6449429

SCHEMBL6449429

O=C(O)N1CCC(N(CC2CCC2)C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.48
KCNH2 Q12809 2/20 0.48
BCHE P06276 8/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD4 P21917 1/20 0.43

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
SCHEMBL6411523 0.83 SLC6A4 (0.67) SLC6A4KCNH2SLC6A2SLC6A3NPC1
SCHEMBL6454014 0.82 SLC6A4 (0.65) SLC6A4KCNH2SLC6A2SLC6A3NPC1
SCHEMBL6439473 0.81 SLC6A4 (0.53) SLC6A4KCNH2BCHESLC6A2SLC6A3
SCHEMBL4634908 0.79 SLC6A4 (0.69) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL6413756 0.77 HRH3 (0.49) SLC6A4KCNH2BCHESLC6A2SLC6A3
SCHEMBL23699966 0.72 ALDH1A1 (0.53) KCNH2NPC1RAB9A
SCHEMBL7761513 0.71 HSD11B1 (0.54) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4111248 0.71 SLC6A2 (0.65) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL6419535 0.70 MEN1 (0.51) SLC6A4KCNH2
SCHEMBL5887756 0.70 SLC6A2 (0.62) SLC6A4KCNH2SLC6A2SLC6A3

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 2 patents. 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
WO-2004111003-A1 AMIDE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 WO 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 SLC6A4 1/4885KCNH2 754/4885BCHE 2008/4885

“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.