SCHEMBL7106030

SCHEMBL7106030

CNCc1cc(N2C=COC2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.59
HTR2A P28223 19/20 0.59
KCNH2 Q12809 18/20 0.59
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL7560029 0.83 SLC6A4 (0.59) SLC6A4HTR2AKCNH2HRH3
SCHEMBL6151377 0.77 HTR2A (0.65) SLC6A4HTR2AKCNH2
SCHEMBL6151683 0.77 HTR2A (0.65) SLC6A4HTR2AKCNH2
SCHEMBL6152387 0.76 SLC6A4 (0.58) SLC6A4HTR2AKCNH2HRH3
Hydrochloric Acid SCHEMBL7228120 0.76 HTR2A (0.64) SLC6A4HTR2AKCNH2
SCHEMBL3947165 0.74 SLC6A4 (0.68) SLC6A4HTR2AKCNH2HRH3
SCHEMBL6153640 0.74 SLC6A4 (0.56) SLC6A4HTR2AKCNH2HRH3
SCHEMBL5837833 0.74 SLC6A4 (1.00) SLC6A4HTR2AKCNH2
SCHEMBL6152014 0.74 SLC6A4 (0.58) SLC6A4HTR2AKCNH2HRH3
SCHEMBL4019960 0.74 SLC6A4 (0.68) SLC6A4HTR2AKCNH2HRH3

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-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 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-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.