SCHEMBL6632030

SCHEMBL6632030

CCc1ccc2c3c(ccc2n1)OC[C@H](CN1CC=C(c2c[nH]c4ccccc24)CC1)O3

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.83
SLC6A4 P31645 3/20 0.83
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
DRD2 P14416 4/20 0.47
HTR2A P28223 3/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
HTR6 P50406 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6626652 1.00 HTR1A (0.83) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628011 0.91 HTR1A (1.00) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL4998818 0.91 HTR1A (1.00) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6626751 0.90 HTR1A (0.67) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL6627167 0.88 HTR1A (0.76) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628900 0.86 HTR1A (0.78) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5766210 0.86 HTR1A (0.75) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6627092 0.86 HTR1A (0.80) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5767747 0.84 HTR1A (0.78) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6847481 0.84 HTR1A (0.78) HTR1ASLC6A4KDM4ELMNAALOX15

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 7 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 disclosed
EP-1392697-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE Wyeth (US) 2004-03-03 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
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 (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 107/4885KDM4E 1123/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT HTR1A 52/4885SLC6A4 106/4885KDM4E 1096/4885

“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.