SCHEMBL6627993

SCHEMBL6627993

Cc1ccc2c3c(ccc2n1)OCC(CN1CCC(c2c[nH]c4ccccc24)CC1)O3

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.67
SLC6A4 P31645 1/20 0.67
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
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL6627997 0.90 HTR1A (0.55) HTR1ASLC6A4USP2POLBTSHR
SCHEMBL4820305 0.82 HTR1A (0.66) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4187208 0.82 HTR1A (0.65) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5785894 0.81 HTR1A (0.52) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5785838 0.81 HTR1A (0.52) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5786545 0.81 HTR1A (0.52) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5785891 0.81 HTR1A (0.52) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL5785889 0.81 HTR1A (0.52) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL6628011 0.80 HTR1A (1.00) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4998818 0.80 HTR1A (1.00) HTR1ASLC6A4CYP3A4CYP2C8DRD2

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 15 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-1485384-A1 PYRAZOLO(1,5-A)PYRIDINE DERIVATIVES AS NEUROTRANSMITTER MODULATORS Pharmacia & Upjohn Company LLC (US) 2004-12-15 EP disclosed
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
WO-2003078435-A1 PYRAZOLO(1,5-A)PYRIDINE DERIVATIVES AS NEUROTRANSMITTER MODULATORS PHARMACIA & UPJOHN COMPANY LLC (US) 2003-09-25 WO 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 107/4885CYP3A4 174/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT HTR1A 52/4885SLC6A4 106/4885CYP3A4 201/4885

“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.