SCHEMBL3472689

SCHEMBL3472689

Fc1cc2ccccc2s1

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
SCHEMBL30313264 1.00 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL29196548 0.93 CYP2A6 (0.44) CYP2A6ASIC3LOXL2MGLLBCL2L1
Acrylic Acid SCHEMBL29050181 0.82 BCL2L1 (0.50) CYP2A6MGLLBCL2L1CA2HDAC3
SCHEMBL29732980 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL845603 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL28316950 0.73 GFER (0.44) CYP2A6APP
SCHEMBL15173737 0.73 CYP1A2 (0.41) CYP2A6APPHDAC6
Bromide SCHEMBL1452621 0.73 CYP2A6 (0.47) CYP2A6ASIC3LOXL2MGLLBCL2L1
Hydrochloric Acid SCHEMBL2972313 0.73 CYP2A6 (0.47) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL734280 0.72 CYP2A6 (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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071374-A The arylation of fatty amine AAA化学公司 2018-12-21 CN claimed
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
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-105263926-A Benzothiophene compound ASTELLAS PHARMA INC 2016-01-20 CN claimed
CN-105209457-A Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE DEUTSCHLAND 2015-12-30 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-102459166-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-03-25 CN claimed
CN-102675341-B Dihydro-triazole and benzo two nitrogen heterocyclic ketones compound, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB 2015-02-25 CN claimed
CN-102985417-B Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORP 2015-01-28 CN claimed
CN-103261189-B Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-01-28 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
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
CN-107556227-B 3-amino-4-alkylthio maleimide compound and preparation and application thereof 东华大学 2020-10-20 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 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-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-11332462-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT CYP2A6 118/4885ASIC3 4256/4885LOXL2 2520/4885

“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.