SCHEMBL2161609

SCHEMBL2161609

c1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 1.00
DRD2 P14416 8/20 1.00
DRD3 P35462 8/20 1.00
GAA P10253 5/20 0.79
MAPT P10636 4/20 0.73
MEN1 O00255 1/20 0.67
GFER P55789 1/20 0.67
KMT2A Q03164 1/20 0.67
MAPK14 Q16539 1/20 0.60
ADRB1 P08588 1/20 0.58
HTR6 P50406 1/20 0.58
GOT1 P17174 1/20 0.54
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2161659 0.85 DRD2 (0.73) DRD4DRD2DRD3GAAMAPT
SCHEMBL2161656 0.85 DRD2 (0.73) DRD4DRD2DRD3GAAMAPT
SCHEMBL2161683 0.84 GAA (1.00) DRD4DRD2DRD3GAAMAPT
SCHEMBL2161629 0.83 DRD2 (0.70) DRD4DRD2DRD3GAAMAPT
SCHEMBL13493196 0.82 DRD2 (0.70) DRD4DRD2DRD3GAAMAPT
SCHEMBL12401748 0.82 DRD2 (0.69) DRD4DRD2DRD3GAAMAPT
SCHEMBL7732059 0.82 DRD2 (0.69) DRD4DRD2DRD3GAAMAPT
SCHEMBL2162489 0.82 GAA (0.74) DRD4DRD2DRD3GAAMAPT
SCHEMBL23102103 0.81 DRD2 (0.68) DRD4DRD2DRD3GAAMAPT
SCHEMBL2162396 0.81 GAA (1.00) DRD4DRD2DRD3GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US claimed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
WO-2011088838-A1 NOVEL 6,6A,7,8,9,10-HEXAHYDRO-4H-4,8,10A-TRIAZA-ACEPHENANTHRYLENE DERIVATIVES AS DOPAMINE D2 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed
WO-2010012817-A2 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 WO disclosed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP disclosed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP disclosed
CN-1321110-C 4-piperazinyl indole derivatives having 5-HT6 receptor affinity HOFFMANN LA ROCHE CO LTD (CH) 2007-06-13 CN disclosed
EP-1335722-B1 INDOLYL-SULFONYL- COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2006-08-30 EP disclosed
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP disclosed
CN-1694866-A 4-piperazinylindole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2005-11-09 CN disclosed
US-20050176705-A1 Compounds useful in the treatment of cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US disclosed
US-6790848-B2 TREATING CENTRAL NERVOUS SYSTEM OR GASTROINTESTINAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-14 US disclosed
EP-1401812-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US disclosed
WO-2002102774-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-27 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 (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-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR3A DRD4 48/4885DRD2 35/4885DRD3 33/4885
US-20050176705-A1 Compounds useful in the treatment of cns disorders SLC18A2, CNR2, TPH2 DRD4 167/4885DRD2 98/4885DRD3 126/4885
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME HTR7, HTR1A, HTR6 DRD4 70/4885DRD2 43/4885DRD3 131/4885

“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.