SCHEMBL4375219

SCHEMBL4375219

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4nc(C)ccc4c3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C8 P10632 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A4 P31645 1/20 0.44
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4372252 1.00 HTR1A (0.47) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL4184647 0.92 HTR1A (0.51) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL4181466 0.92 HTR1A (0.51) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL6630869 0.90 NCF1 (0.39) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL6629861 0.90 NCF1 (0.39) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL5239210 0.89 HTR1A (0.37) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL5234849 0.89 HTR1A (0.37) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL7238404 0.86 LMNA (0.36) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL6624038 0.86 LMNA (0.36) HTR1ACYP3A4CYP2C19CYP2C8DRD2
SCHEMBL6626398 0.85 LMNA (0.36) HTR1ACYP3A4CYP2C19CYP2C8DRD2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7439364-B2 Process for the synthesis of derivatives of halo-[2,3-F] quinoline WYETH (US) 2008-10-21 US disclosed
US-7439364-B2 Process for the synthesis of derivatives of halo-[2,3-F] quinoline WYETH (US) 2008-10-21 US disclosed
US-7439364-B2 Process for the synthesis of derivatives of halo-[2,3-F] quinoline WYETH (US) 2008-10-21 US disclosed
US-20070123705-A1 Process for the Synthesis of Derivatives of 2,3-Dihydro-1,4-Dioxino-[2,3-f] Quinolines WYETH (US) 2007-05-31 US disclosed
US-20070123705-A1 Process for the Synthesis of Derivatives of 2,3-Dihydro-1,4-Dioxino-[2,3-f] Quinolines WYETH (US) 2007-05-31 US disclosed
US-20070123705-A1 Process for the Synthesis of Derivatives of 2,3-Dihydro-1,4-Dioxino-[2,3-f] Quinolines WYETH (US) 2007-05-31 US disclosed
US-7166723-B2 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino-[2,3-f] quinoline WYETH (US) 2007-01-23 US disclosed
US-7166723-B2 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino-[2,3-f] quinoline WYETH (US) 2007-01-23 US disclosed
US-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline WYETH 2003-03-06 US disclosed
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists WYETH 2002-12-19 US disclosed
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline WYETH 2002-12-12 US disclosed
US-20020183322-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists WYETH 2002-12-05 US disclosed
WO-2002092602-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-f] QUINOLINE WYETH (US) 2002-11-21 WO disclosed
WO-2002088130-A1 AZABICYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-F]QUINOLINE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-07 WO disclosed
WO-2002088132-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE AS 5-HT1AANTAGONISTS WYETH (US) 2002-11-07 WO disclosed
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH 2002-11-07 US disclosed
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 US disclosed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 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 (7 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-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline CYP19A1, DDT, DRD2 HTR1A 57/4885CYP3A4 174/4885CYP2C19 81/4885
US-20020183322-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists HTR1B, HTR1A, HTR2C HTR1A 2/4885CYP3A4 240/4885CYP2C19 105/4885
US-20070123705-A1 Process for the Synthesis of Derivatives of 2,3-Dihydro-1,4-Dioxino-[2,3-f] Quinolines CYP1A1, CYP2F1, CYP4X1 HTR1A 468/4885CYP3A4 29/4885CYP2C19 172/4885
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline CYP1A1, CYP2F1, CYP1B1 HTR1A 449/4885CYP3A4 18/4885CYP2C19 161/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT HTR1A 52/4885CYP3A4 201/4885CYP2C19 96/4885
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists HTR2C, HTR1A, HTR3B HTR1A 2/4885CYP3A4 259/4885CYP2C19 118/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH HTR1A 39/4885CYP3A4 445/4885CYP2C19 41/4885

“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.