SCHEMBL410563

SCHEMBL410563

CCN1CCNCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
PRCP P42785 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 1/20 0.41
RIPK1 Q13546 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CALCA P06881 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL470870 1.00 P2RX7 (0.43) P2RX7PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL404339 0.87 TAAR1 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL18741430 0.85 ADRB1 (0.40) TAAR1HTR2AHTR2CHTR2B
SCHEMBL30853839 0.84 HTR3A (0.44) P2RX7SLC6A3HTR2AHTR2CHTR2B
SCHEMBL3978422 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL27843488 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL22382688 0.83 RIPK1 (0.43) SLC6A2SLC6A4RIPK1HTR2AHTR2C
SCHEMBL27506411 0.83 TAAR1 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6TAAR1
SCHEMBL470874 0.82 CHRNB2 (0.47) TDP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1579802 0.82 SIGMAR1 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6CALCA

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048405-A Aryl-substituted piperazine derivatives NEUROGEN CORP (US) 2007-10-03 CN claimed
CN-117402124-A Aryl sulfonamide compound and anti-influenza application thereof 中国医学科学院医药生物技术研究所 2024-01-16 CN disclosed
US-20210332046-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-28 US disclosed
US-11155551-B2 Nicotinic acetylcholine receptor silent agonists UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-10-26 US disclosed
US-20200247804-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2020-08-06 US disclosed
US-10662191-B2 Nicotinic acetylcholine receptor silent agonists UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2020-05-26 US disclosed
US-20180298002-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2018-10-18 US disclosed
US-9796723-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-20170114068-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
WO-2017066558-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-04-20 WO disclosed
WO-2006005195-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITé LAVAL (CA) 2006-01-19 WO disclosed
CN-1703401-A Substituted 1-benzyl-4-arylpiperazine analogs as ligands for melanin concentrating hormone receptors NEUROGEN CORP (US) 2005-11-30 CN disclosed
US-6953801-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2005-10-11 US disclosed
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN (US) 2005-08-18 US disclosed
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION 2005-03-24 US disclosed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP disclosed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 WO disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed
EP-0211746-A1 Phenyl-piperazine derivatives, process for their preparation and therapeutical use LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-02-25 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 (8 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-20180298002-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS CHRNA7, CHRNA2, CHRNE P2RX7 28/4885PRCP 2006/4885SLC6A2 801/4885
US-20170114068-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 P2RX7 4/4885PRCP 935/4885SLC6A2 3497/4885
US-11155551-B2 Nicotinic acetylcholine receptor silent agonists CHRNA7, CHRNA2, CHRNE P2RX7 28/4885PRCP 2006/4885SLC6A2 801/4885
US-10662191-B2 Nicotinic acetylcholine receptor silent agonists CHRNA7, CHRNA2, CHRNE P2RX7 28/4885PRCP 2006/4885SLC6A2 801/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R P2RX7 1613/4885PRCP 299/4885SLC6A2 562/4885
US-20200247804-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS CHRNA7, CHRNA2, CHRNE P2RX7 28/4885PRCP 2006/4885SLC6A2 801/4885
US-20210332046-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SILENT AGONISTS CHRNA7, CHRNA2, CHRNE P2RX7 28/4885PRCP 2006/4885SLC6A2 801/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R P2RX7 1613/4885PRCP 299/4885SLC6A2 562/4885

“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.