SCHEMBL7112299

SCHEMBL7112299

CN(Cc1cc(N)ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.65
HTR2A P28223 15/20 0.65
KCNH2 Q12809 12/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 2/20 0.49
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOS1 Q07889 1/20 0.39
AHCY P23526 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3944807 0.87 SLC6A4 (0.48) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL2881204 0.87 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3946409 0.86 HTR2A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4019396 0.86 HTR2A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL8169606 0.86 SLC6A4 (0.42) SLC6A4HTR2AKCNH2HRH3
SCHEMBL7461612 0.85 HTR2A (0.73) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7107218 0.83 HTR2A (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7106388 0.80 SLC6A4 (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7246130 0.80 MEN1 (0.42) SLC6A4
SCHEMBL5837285 0.80 SLC6A4 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.