SCHEMBL7114254

SCHEMBL7114254

NCC1CCc2ccc(OCc3ccccc3)cc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.65
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
MAOB P27338 4/20 0.49
MAOA P21397 2/20 0.49
HRH3 Q9Y5N1 5/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
GRM5 P41594 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
Hydrochloric Acid SCHEMBL7118993 0.99 HTR6 (0.64) HTR6CA2CA5AMAOBMAOA
SCHEMBL7112912 0.89 HTR6 (0.66) HTR6CA2CA5AMAOBMAOA
SCHEMBL7312343 0.89 HTR6 (0.66) HTR6CA2CA5AMAOBMAOA
SCHEMBL1932581 0.88 HTR6 (0.71) HTR6CA2CA5AMAOBMAOA
SCHEMBL29444722 0.88 HTR6 (0.71) HTR6CA2CA5AMAOBMAOA
SCHEMBL7312003 0.88 HTR6 (0.71) HTR6CA2CA5AMAOBMAOA
SCHEMBL7114979 0.87 HTR6 (0.53) HTR6CA2CA5AMAOBMAOA
SCHEMBL7113653 0.86 HTR6 (0.61) HTR6CA2CA5AMAOBMAOA
SCHEMBL7112228 0.85 HTR6 (0.62) HTR6CA2CA5AMAOBMAOA
SCHEMBL7112725 0.84 HTR6 (0.64) HTR6CA2CA5AMAOBMAOA

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
US-6638972-B2 Disorders of 5HT-6 receptors WYETH 2003-10-28 US claimed
US-20030153599-A1 Chroman and benzofuran derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-08-14 US claimed
WO-2003029239-A1 CHROMAN AND BENZOFURAN DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-04-10 WO claimed
US-6638972-B2 Disorders of 5HT-6 receptors WYETH 2003-10-28 US disclosed
US-20030153599-A1 Chroman and benzofuran derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-08-14 US disclosed
WO-2003029239-A1 CHROMAN AND BENZOFURAN DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-04-10 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-20030153599-A1 Chroman and benzofuran derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1F, HTR1A HTR6 1/4885CA2 3463/4885CA5A 2699/4885

“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.