SCHEMBL3323841

SCHEMBL3323841

C=Cc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(CCN(CC)CC)c3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.74
HTR1D P28221 2/20 0.49
MPO P05164 1/20 0.49
HTR1A P08908 2/20 0.48
HTR1B P28222 1/20 0.48
HTR7 P34969 1/20 0.47
HTR5A P47898 1/20 0.47

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
SCHEMBL3144603 0.85 HTR6 (1.00) HTR6HTR1DMPOHTR1AHTR1B
SCHEMBL3156829 0.83 HTR6 (1.00) HTR6HTR1DMPOHTR1AHTR1B
SCHEMBL5655899 0.83 HTR6 (0.73) HTR6HTR1DMPOHTR1AHTR1B
SCHEMBL3147480 0.82 HTR6 (1.00) HTR6HTR1DHTR1AHTR1B
SCHEMBL1576005 0.77 HTR6 (0.85) HTR6HTR1A
SCHEMBL3146752 0.77 HTR6 (1.00) HTR6MPO
SCHEMBL4967323 0.77 HTR6 (0.64) HTR6HTR1DMPOHTR1AHTR1B
SCHEMBL4004572 0.77 HTR6 (0.54) HTR6MPO
SCHEMBL3139135 0.77 HTR6 (0.66) HTR6HTR1DMPOHTR1AHTR1B
SCHEMBL3139127 0.77 HTR6 (0.66) HTR6HTR1DMPOHTR1AHTR1B

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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885HTR1D 27/4885MPO 1031/4885

“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.