SCHEMBL6631360

SCHEMBL6631360

NC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.60
HTR1D P28221 9/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
HTR2C P28335 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
BRCA1 P38398 1/20 0.59
KMT2A Q03164 1/20 0.59
DRD2 P14416 1/20 0.58
ALOX15 P16050 1/20 0.58
HTR1E P28566 2/20 0.55
HTR1A P08908 1/20 0.55

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
SCHEMBL8558613 0.84 HTR6 (0.65) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL9764393 0.84 KDM4E (0.59) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL1675799 0.80 HTR6 (0.67) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL3836149 0.80 HTR6 (0.67) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL8820109 0.78 HSD17B10 (0.56) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL7460028 0.78 HTR6 (0.67) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL2783986 0.78 HTR6 (0.67) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL2778860 0.78 HTR6 (0.67) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL6631651 0.78 KDM4E (0.70) HTR6HTR1DKDM4EALDH1A1MAPT
SCHEMBL3341152 0.77 SLC6A4 (0.68)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US 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
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
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed
US-5066660-A INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-11-19 US disclosed
EP-0303506-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP 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 (3 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR6 1/4885HTR1D 36/4885KDM4E 3933/4885
US-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline CYP19A1, DDT, DRD2 HTR6 64/4885HTR1D 37/4885KDM4E 1123/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT HTR6 76/4885HTR1D 42/4885KDM4E 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.