SCHEMBL6153523

SCHEMBL6153523

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.48
HTR2A P28223 13/20 0.48
KCNH2 Q12809 11/20 0.46
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR1 O14842 1/20 0.34
MGLL Q99685 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL6152328 0.84 HTR2A (0.43) SLC6A4HTR2AKCNH2HSP90AA1
SCHEMBL6151887 0.83 SLC6A4 (0.39) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7112299 0.79 SLC6A4 (0.65) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6762993 0.70 AAK1 (0.41) AAK1
SCHEMBL7515253 0.69 HTR2A (0.47) SLC6A4HTR2AKCNH2
SCHEMBL7457814 0.69 SLC6A4 (0.42) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6675085 0.68 ACHE (0.43) AAK1
SCHEMBL31226523 0.68 ACHE (0.43) AAK1
SCHEMBL2881204 0.68 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7461612 0.68 HTR2A (0.73) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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
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
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 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-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.