SCHEMBL4584077

SCHEMBL4584077

COc1cccc(CNCCN)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.77
SCN8A Q9UQD0 1/20 0.63
TAAR1 Q96RJ0 3/20 0.62
BCHE P06276 3/20 0.59
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HTR2A P28223 2/20 0.57
HTR2C P28335 1/20 0.56
MC4R P32245 1/20 0.54
MC5R P33032 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54

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
SCHEMBL4915334 0.97 CHRM2 (0.77) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL4913847 0.97 CHRM2 (0.77) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL4914669 0.97 CHRM2 (0.77) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL13391223 0.94 CHRM2 (0.77) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL16260103 0.91 CHRM2 (0.83) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL4916089 0.90 CHRM2 (0.81) CHRM2SCN8ATAAR1BCHEKMT2A
Hydrochloric Acid SCHEMBL29778292 0.90 CHRM2 (0.81) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL4917384 0.88 CHRM2 (0.84) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL5038344 0.88 CHRM2 (0.84) CHRM2SCN8ATAAR1BCHEKMT2A
SCHEMBL4916807 0.88 CHRM2 (0.84) CHRM2SCN8ATAAR1BCHEKMT2A

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 31 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
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-3390483-B1 ENCAPSULATION PROCTER & GAMBLE (US) 2022-05-18 EP disclosed
CN-107708853-B Encapsulation 恩盖普有限公司 2021-12-07 CN 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
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 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 (4 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 4710/4885SCN8A 4332/4885TAAR1 3741/4885
US-20180235893-A1 ENCAPSULATION ACR, ACMSD, SAMM50 CHRM2 1120/4885SCN8A 2806/4885TAAR1 646/4885
US-10864167-B2 Encapsulation ACR, MPHOSPH6, ACMSD CHRM2 993/4885SCN8A 3042/4885TAAR1 668/4885
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CHRM2 3963/4885SCN8A 4367/4885TAAR1 3733/4885

“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.