SCHEMBL1145989

SCHEMBL1145989

Cc1ccc(-c2ccc(Cl)nn2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
NPSR1 Q6W5P4 1/20 0.39
PDE4B Q07343 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 1/20 0.37
HDAC1 Q13547 3/20 0.36
KDM1A O60341 2/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL5502067 0.82 MAOB (0.52) MAOBNPSR1PDE4BMEN1HTT
SCHEMBL9057024 0.82 ALPL (0.43) MAOBPDE4BMEN1HTTKMT2A
SCHEMBL10973026 0.81 MAOB (0.51) MAOBNPSR1PDE4BMEN1HTT
SCHEMBL11623295 0.79 MAOB (0.52) MAOBNPSR1PDE4BMEN1HTT
SCHEMBL4023321 0.74 MEN1 (0.49) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL15594553 0.73 MET (0.42) NPSR1MEN1KMT2AALDH1A1
SCHEMBL9326495 0.73 HDAC6 (0.56) DHODHHDAC1KDM1AHDAC2HDAC11
SCHEMBL2615352 0.72 KMO (0.43) KMT2AGRM2
SCHEMBL13520606 0.72 GRM2 (0.44) MAOBMEN1KMT2AALDH1A1GRM2
SCHEMBL15594548 0.70 MET (0.44) NPSR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190083474-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2019-03-21 US disclosed
US-20180078536-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2018-03-22 US disclosed
US-9849117-B2 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists NOVARTIS AG (CH) 2017-12-26 US disclosed
US-9657010-B2 Substituted quinuclidines as alpha 7-nicotinic acetylcholine receptor activity modulators NOVARTIS AG (CH) 2017-05-23 US disclosed
US-20170112814-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2017-04-27 US disclosed
US-9567343-B2 Aza-bicyloalkyl ethers and their use as alpha7-nachr agonists NOVARTIS AG (CH) 2017-02-14 US disclosed
US-9475811-B2 1-aza-bicyclo[3.3.1]nonanes NOVARTIS AG (CH) 2016-10-25 US disclosed
US-20150183794-A1 AZA-BICYLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2015-07-02 US disclosed
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US disclosed
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2015-03-26 US disclosed
CN-1325493-C Aza-bicycloalkyl ethers and their use as alpha7-nachr agonist NOVARTIS AG (CH) 2007-07-11 CN disclosed
CN-1964968-A 1-aza-bicyclo[3.3.1]nonanes NOVARTIS AG (CH) 2007-05-16 CN disclosed
EP-1776360-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA.7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES. Novartis AG (CH) 2007-04-25 EP disclosed
EP-1761533-A1 1-AZA-BICYCLO[3.3.1]NONANES Novartis AG (CH) 2007-03-14 EP disclosed
US-20060167002-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists FEUERBACH DOMINIK 2006-07-27 US disclosed
WO-2006005608-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA.7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG (CH) 2006-01-19 WO disclosed
WO-2005123732-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2005-12-29 WO disclosed
CN-1678611-A Aza-bicycloalkyl ethers and their use as alpha7-nachr agonist NOVARTIS AG (CH) 2005-10-05 CN disclosed
EP-1537104-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONIST Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004022556-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONIST NOVARTIS AG (CH) 2004-03-18 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 (6 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-20150183794-A1 AZA-BICYLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE MAOB 513/4885NPSR1 373/4885PDE4B 384/4885
US-20170112814-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE MAOB 426/4885NPSR1 435/4885PDE4B 302/4885
US-20180078536-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE MAOB 426/4885NPSR1 435/4885PDE4B 302/4885
US-20060167002-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists CHRNA7, CHRNA1, CHRNE MAOB 406/4885NPSR1 536/4885PDE4B 173/4885
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, ADCY3 MAOB 1023/4885NPSR1 387/4885PDE4B 680/4885
US-20190083474-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE MAOB 426/4885NPSR1 435/4885PDE4B 302/4885

“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.