SCHEMBL3911949

SCHEMBL3911949

O=S(=O)(c1cccc(F)c1)c1cccc2nc(N3CCNCC3)oc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.71
CYP1A2 P05177 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR7 P34969 1/20 0.48
HRH1 P35367 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 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
SCHEMBL3909572 0.89 HTR6 (0.70) HTR6
SCHEMBL3912683 0.88 HTR6 (0.77) HTR6
SCHEMBL3919708 0.87 HTR6 (0.71) HTR6CYP1A2ADRB1CYP3A4HTR1A
SCHEMBL3915879 0.87 HTR6 (0.72) HTR6HTR2CHTR3ASIGMAR1
SCHEMBL3910143 0.85 HTR6 (0.72) HTR6CYP1A2ADRB1CYP3A4
SCHEMBL3918119 0.83 HTR6 (1.00) HTR6
SCHEMBL3909167 0.80 HTR6 (1.00) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL3918674 0.80 HTR6 (0.71) HTR6CHRM1HTR2A
Hydrochloric Acid SCHEMBL4079949 0.79 HTR6 (0.98) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL4082403 0.78 HTR6 (0.71) HTR6CYP1A2ADRB1CYP3A4HTR1A

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-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US claimed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 US claimed
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US disclosed
EP-2024348-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS Wyeth (US) 2009-02-18 EP disclosed
WO-2007142904-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2007-12-13 WO disclosed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 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-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885CYP1A2 433/4885ADRB1 250/4885

“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.