SCHEMBL686527

SCHEMBL686527

Clc1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
ASIC3 Q9UHC3 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
BCL2L1 Q07817 1/20 0.47
CA2 P00918 2/20 0.45
APP P05067 2/20 0.44
AGXT P21549 1/20 0.44
ADRB2 P07550 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL29604746 1.00 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL2972310 0.98 CYP2A6 (0.47) CYP2A6ASIC3LOXL2MGLLBCL2L1
Thiophene SCHEMBL7069131 0.89 CYP2A6 (0.41) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL6651277 0.75 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL845603 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL29732980 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL29196258 0.73 CYP2A6 (0.41) CYP2A6LOXL2APPSIGMAR1
SCHEMBL5336284 0.73 CYP2A6 (0.41) CYP2A6LOXL2HDAC6
SCHEMBL734280 0.72 CYP2A6 (0.50) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL2150858 0.72 APP (0.50) CYP2A6ASIC3LOXL2MGLLBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597315-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments EUTHYMICS BIOSCIENCE, INC. (US) 2017-03-21 US claimed
CN-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 CN claimed
US-20160022634-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ETHISMOS RESEARCH, INC. 2016-01-28 US claimed
CN-105209457-A Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE DEUTSCHLAND 2015-12-30 CN claimed
CN-103732583-B TRPV4 antagonist GLAXOSMITHKLINE LLC (GB) 2015-12-23 CN claimed
EP-2167083-B1 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EUTHYMICS BIOSCIENCE INC (US) 2015-10-28 EP claimed
US-9133159-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments NEUROVANCE, INC. (US) 2015-09-15 US claimed
CN-102482285-B Novel 2,3-dihydro-1h-imidazo(1,2-a)pyrimidin-5-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI SA 2015-07-15 CN claimed
CN-102482286-B Novel 1,2,3, 4-tetrahydropyrimidino {1,2-a } pyrimidin-6-one derivatives, their preparation and their medical use SANOFI SA 2015-07-15 CN claimed
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN claimed
US-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments NEUROVANCE, INC. (US) 2014-10-09 US claimed
EP-2167083-A2 NOVEL 1- HETEROARYL-3-AZABICYCLOÝ3.1.0¨HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV Pharmaceutical, Inc. (US) 2010-03-31 EP claimed
WO-2008153937-A2 NOVEL 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV PHARMACEUTICAL, INC. (US) 2008-12-18 WO claimed
EP-1444201-B1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2007-09-12 EP claimed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP claimed
US-7179835-B2 2-(3-sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2007-02-20 US claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed
US-20050004119-A1 2-(3-Sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-01-06 US claimed
EP-1444201-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-11 EP claimed
WO-2003043981-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-30 WO claimed

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-20140303207-A1 Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments HTR3C, HTR2C, CNR1 CYP2A6 87/4885ASIC3 3302/4885LOXL2 2533/4885
US-20160022634-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C CYP2A6 98/4885ASIC3 3190/4885LOXL2 2415/4885
US-20050004119-A1 2-(3-Sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors SERPINC1, F11, SERPINE1 CYP2A6 866/4885ASIC3 2377/4885LOXL2 289/4885

“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.