SCHEMBL6151887

SCHEMBL6151887

CC(c1cc(N2CCCC2=O)ccc1Oc1ccc(Cl)c(Cl)c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.39
HTR2A P28223 7/20 0.39
KCNH2 Q12809 5/20 0.39
ATM Q13315 1/20 0.38
SLC6A2 P23975 5/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
SLC6A3 Q01959 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F10 P00742 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL7457814 0.89 SLC6A4 (0.42) SLC6A4HTR2AKCNH2ATMSLC6A2
SCHEMBL7106388 0.83 SLC6A4 (0.41) SLC6A4HTR2AKCNH2ATMSLC6A2
SCHEMBL6153523 0.83 SLC6A4 (0.48) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7110329 0.80 SLC6A4 (0.43) SLC6A4HTR2AKCNH2ATMSLC6A2
SCHEMBL6151885 0.78 SLC6A4 (0.57) SLC6A4HTR2AKCNH2ATMSLC6A2
Hydrochloric Acid SCHEMBL6151478 0.77 SLC6A4 (0.56) SLC6A4HTR2AKCNH2ATMSLC6A2
SCHEMBL7457810 0.77 ATM (0.41) SLC6A4HTR2AKCNH2ATMSLC6A2
SCHEMBL6152328 0.76 HTR2A (0.43) SLC6A4HTR2AKCNH2MAPTSMN1; SMN2
SCHEMBL6151526 0.74 SLC6A4 (0.45) SLC6A4HTR2AKCNH2ATMSLC6A2
SCHEMBL7460955 0.72 SLC6A2 (0.44) SLC6A4ATMSLC6A2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 US disclosed
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 US disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 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-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 SLC6A4 6/4885HTR2A 24/4885KCNH2 1835/4885

“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.