SCHEMBL3559935

SCHEMBL3559935

Clc1ccc(N2CCNCC2)c2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
SLC6A4 P31645 1/20 0.60
KDM4E B2RXH2 2/20 0.51
BRD4 O60885 1/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
ADRB1 P08588 2/20 0.50
HTR1A P08908 2/20 0.50
SLC6A2 P23975 2/20 0.50
NCF1 P14598 3/20 0.49
ADRB2 P07550 2/20 0.49
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46

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
SCHEMBL27732003 0.82 MAPT (0.62) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL3566110 0.82 MAPT (0.62) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL3563724 0.80 NCF1 (0.66) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL3566951 0.79 MAPT (0.58) MAPTHTR2AHTR2CSLC6A4LMNA
SCHEMBL28512817 0.77 MAPT (1.00) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL2947898 0.77 NCF1 (0.65) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL28710430 0.77 NCF1 (0.58) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL15161248 0.77 NCF1 (0.58) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL1045944 0.75 HTR2A (1.00) MAPTHTR2AHTR2CSLC6A4KDM4E
SCHEMBL6637479 0.75 G6PD (0.55) MAPTHTR2AHTR2CSLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
CN-101243073-A Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH CORP (US) 2008-08-13 CN disclosed
EP-1888559-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR Wyeth a Corporation of the State of Delaware (US) 2008-02-20 EP disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
WO-2006135839-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR WYETH (US) 2006-12-21 WO disclosed
CN-1812984-A Benzofuranyl-piperazinyl and benzothienyl-piperazinyl quinolines as 5-hydroxytryptamine reuptake inhibitors WHETH CORP (US) 2006-08-02 CN disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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 (4 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-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 PCSK9, PCSK6, PCSK7 MAPT 3169/4885HTR2A 3398/4885HTR2C 3311/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C MAPT 643/4885HTR2A 7/4885HTR2C 3/4885
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D MAPT 972/4885HTR2A 6/4885HTR2C 2/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C MAPT 643/4885HTR2A 7/4885HTR2C 3/4885

“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.