SCHEMBL4837581

SCHEMBL4837581

Nc1c(CS(=O)(=O)c2cccc3ccccc23)cccc1OC(CCl)CCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
HTR6 P50406 2/20 0.36
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3534503 0.82 HTR1B (0.40) CA2CA1CA9HTR6F2
SCHEMBL3535404 0.82 HTR1B (0.42) CA2CA1CA9HTR6MEN1
SCHEMBL4843310 0.82 CYP19A1 (0.36) CA2CA1CA9HTR6ALDH1A1
SCHEMBL3531354 0.71 CA1 (0.35) CA2CA1CA9HTR6F2
SCHEMBL14006356 0.70 HTR6 (0.36) CA2CA1CA9HTR6MAOA
SCHEMBL3531590 0.70 HTR6 (0.39) CA2CA1CA9HTR6F2
SCHEMBL5014728 0.68 F2 (0.35) CA2CA1CA9HTR6F2
SCHEMBL3534295 0.68 HTR1B (0.40) CA2CA1CA9HTR6F2
SCHEMBL4837518 0.68 AKR1B1 (0.42) HTR6
SCHEMBL3533897 0.68 CYP19A1 (0.38) HTR6CYP3A4CASP1SLC6A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-7429582-B2 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands and use thereof in the treatment of attention deficit disorders WYETH (US) 2008-09-30 US disclosed
US-7429582-B2 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands and use thereof in the treatment of attention deficit disorders WYETH (US) 2008-09-30 US disclosed
US-7429582-B2 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands and use thereof in the treatment of attention deficit disorders WYETH (US) 2008-09-30 US disclosed
WO-2007120599-A2 DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
WO-2007120599-A2 DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 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 (2 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-20080280894-A1 DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C CA2 3098/4885CA1 3001/4885CA9 4533/4885
US-20070244105-A1 Dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C CA2 3098/4885CA1 3001/4885CA9 4533/4885

“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.