SCHEMBL4909317

SCHEMBL4909317

COc1ccccc1CNCCN

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 15/20 0.79
BCHE P06276 5/20 0.75
ACHE P22303 5/20 0.75
CHRM4 P08173 5/20 0.75
CHRM5 P08912 5/20 0.75
CHRM1 P11229 5/20 0.75
CHRM3 P20309 5/20 0.75
GRIN1 Q05586 4/20 0.75
GRIN2A Q12879 4/20 0.75
RECQL P46063 2/20 0.75
TP53 P04637 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
TSHR P16473 1/20 0.75
THPO P40225 1/20 0.75
MEN1 O00255 1/20 0.73
POLB P06746 1/20 0.73
MAPT P10636 1/20 0.73
BLM P54132 1/20 0.73
PMP22 Q01453 1/20 0.73

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
SCHEMBL4918881 0.97 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918374 0.97 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918894 0.97 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL10873043 0.93 CHRM2 (0.85) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4373386 0.90 CHRM2 (0.97) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918396 0.89 CHRM2 (0.79) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4913173 0.87 CHRM2 (0.83) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918181 0.87 CHRM2 (0.83) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL5035489 0.87 CHRM2 (0.83) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL11982296 0.86 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
EP-3390483-B1 ENCAPSULATION PROCTER & GAMBLE (US) 2022-05-18 EP disclosed
EP-3368207-B1 ENCAPSULATION ENCAPSYS LLC (US) 2021-12-01 EP disclosed
US-10864167-B2 Encapsulation THE PROCTER & GAMBLE COMPANY (US) 2020-12-15 US disclosed
EP-3390483-A1 ENCAPSULATION The Procter and Gamble Company (US) 2018-10-24 EP disclosed
EP-3368207-A1 ENCAPSULATION ENCAPSYS, LLC (US) 2018-09-05 EP disclosed
US-20180235893-A1 ENCAPSULATION THE PROCTER & GAMBLE COMPANY 2018-08-23 US disclosed
US-9937477-B2 Encapsulation WATERTITE PRODUCTS, INC. 2018-04-10 US disclosed
CN-107708853-A Encapsulating 恩盖普有限公司 2018-02-16 CN disclosed
US-20170113200-A1 Encapsulation Encapsys,LLC (US) 2017-04-27 US disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC CHRM2 4710/4885BCHE 4539/4885ACHE 4885/4885
US-20180235893-A1 ENCAPSULATION ACR, ACMSD, SAMM50 CHRM2 1120/4885BCHE 1469/4885ACHE 1955/4885
US-10864167-B2 Encapsulation ACR, MPHOSPH6, ACMSD CHRM2 993/4885BCHE 1742/4885ACHE 2126/4885

“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.