SCHEMBL5014728

SCHEMBL5014728

Nc1c(CS(=O)(=O)c2cccc3ccccc23)cc(OCCO)cc1OCCCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.35
MCL1 Q07820 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HTR1B P28222 2/20 0.32
HTR1D P28221 1/20 0.32
KCNA3 P22001 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HTR6 P50406 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
F10 P00742 1/20 0.32
KCNH2 Q12809 1/20 0.31
NPY5R Q15761 1/20 0.31
PARP15 Q460N3 1/20 0.31

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
SCHEMBL3531590 0.88 HTR6 (0.39) F2CA1CA2CA9HTR6
SCHEMBL14015215 0.85 CYP19A1 (0.34) F2MCL1KCNA3CNR1CNR2
SCHEMBL3531354 0.84 CA1 (0.35) F2CA1CA2CA9HTR1B
SCHEMBL3534503 0.82 HTR1B (0.40) F2CA1CA2CA9HTR1B
SCHEMBL14099858 0.81 AKR1B1 (0.37) HTR1BHTR1DKCNA3KCNH2PARP15
SCHEMBL3533435 0.78 HTR6 (0.38) F2MCL1CA1CA2CA9
SCHEMBL3535404 0.78 HTR1B (0.42) CA1CA2CA9HTR1BKCNA3
SCHEMBL5013073 0.77 HTR6 (0.43) HTR6
SCHEMBL3532950 0.75 HTR6 (0.40) CA1CA2CA9KCNA3HTR6
SCHEMBL3534295 0.73 HTR1B (0.40) F2CA1CA2CA9HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004659-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2008-12-24 EP disclosed
US-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-7414051-B2 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-19 US disclosed
US-7414051-B2 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-19 US disclosed
WO-2007120594-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
WO-2007120594-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244106-A1 Substituted-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-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C F2 4077/4885MCL1 4779/4885CA1 3111/4885
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C F2 4077/4885MCL1 4779/4885CA1 3111/4885

“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.