SCHEMBL6629589

SCHEMBL6629589

NC(=O)c1ccc2[nH]cc(C3=CCN(CC4COc5ccc6ncccc6c5O4)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.62
SLC6A4 P31645 2/20 0.62
HTR1D P28221 5/20 0.45
HTR1B P28222 2/20 0.44
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42

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
SCHEMBL6630436 0.90 HTR1A (0.59) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL6628211 0.88 HTR1A (0.65) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6628900 0.88 HTR1A (0.78) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL6627255 0.86 HTR1A (0.63) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6629093 0.86 HTR1A (0.65) HTR1ASLC6A4DRD2HTR2A
SCHEMBL5767215 0.81 HTR1A (0.72) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL5766463 0.79 HTR1A (0.59) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6629048 0.79 HTR1A (0.59) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6628586 0.79 HTR1A (0.76) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL6629700 0.79 HTR1A (0.65) HTR1ASLC6A4DRD2HTR2A

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
EP-1392697-B1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE WYETH CORP (US) 2004-11-03 EP claimed
EP-1392697-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE Wyeth (US) 2004-03-03 EP claimed
US-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline WYETH 2003-03-06 US claimed
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH 2002-11-07 US claimed
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 US claimed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 WO claimed
EP-1392697-B1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE WYETH CORP (US) 2004-11-03 EP disclosed
US-6599915-B2 5HT1A antagonist limit the negative feedback of autoceptors seen with serotonic reuptake inhibitors WYETH 2003-07-29 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-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

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-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline CYP19A1, DDT, DRD2 HTR1A 57/4885SLC6A4 107/4885HTR1D 37/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT HTR1A 52/4885SLC6A4 106/4885HTR1D 42/4885

“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.