SCHEMBL4375168

SCHEMBL4375168

Cc1ccc2c3c(ccc2n1)OC[C@H](CO)O3

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.55
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A4 P31645 1/20 0.48
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4363794 1.00 HTR1A (0.55) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4998334 1.00 HTR1A (0.55) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL13927903 0.88 HTR1A (0.56) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4907152 0.87 HTR1A (0.55) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL13950879 0.87 HTR1A (0.55) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4197898 0.87 HTR1A (0.55) HTR1ACYP3A4CYP2C8DRD2DRD4
Hydrochloric Acid SCHEMBL5508210 0.86 HTR1A (0.54) HTR1ACYP3A4CYP2C8DRD2DRD4
Hydrochloric Acid SCHEMBL4483963 0.86 HTR1A (0.54) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL14196481 0.85 HTR1A (0.53) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4729997 0.84 LMNA (0.52) HTR1ACYP3A4CYP2C8DRD2DRD4

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 41 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-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP 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-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-22 US disclosed
US-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-07-15 US disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 WO disclosed
WO-2004024730-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
US-6693197-B2 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino- [2,3-f] quinoline WYETH 2004-02-17 US disclosed
EP-1387845-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-(2,3-f) QUINOLINE Wyeth (US) 2004-02-11 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines HTR5A, TPH1, DBH HTR1A 13/4885CYP3A4 306/4885CYP2C8 965/4885
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 29/4885CYP2C8 174/4885
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 18/4885CYP2C8 185/4885
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CYP19A1, CRH HTR1A 39/4885CYP3A4 186/4885CYP2C8 624/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH HTR1A 39/4885CYP3A4 445/4885CYP2C8 1212/4885

“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.