SCHEMBL7521053

SCHEMBL7521053

CNCc1cc(-c2nnoc2C)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.59
SLC6A4 P31645 19/20 0.59
KCNH2 Q12809 19/20 0.59

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
SCHEMBL6151996 0.83 HTR2A (0.59) HTR2ASLC6A4KCNH2
SCHEMBL7568036 0.83 HTR2A (0.59) HTR2ASLC6A4KCNH2
SCHEMBL6152401 0.81 HTR2A (0.59) HTR2ASLC6A4KCNH2
SCHEMBL6151592 0.80 HTR2A (0.60) HTR2ASLC6A4KCNH2
SCHEMBL6151513 0.79 HTR2A (0.70) HTR2ASLC6A4KCNH2
SCHEMBL6153430 0.79 HTR2A (0.59) HTR2ASLC6A4KCNH2
SCHEMBL6152797 0.79 SLC6A4 (0.59) HTR2ASLC6A4KCNH2
SCHEMBL6151710 0.78 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL6151609 0.77 HTR2A (0.71) HTR2ASLC6A4KCNH2
SCHEMBL6151381 0.77 HTR2A (0.62) HTR2ASLC6A4KCNH2

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-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PFIZER INC. 2002-10-10 US claimed

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-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PMP22, GAP43, SLC6A2 HTR2A 108/4885SLC6A4 4/4885KCNH2 368/4885

“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.