SCHEMBL1611664

SCHEMBL1611664

NC1CCC(CN2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 1/20 0.39
THRB P10828 2/20 0.38
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MERTK Q12866 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
USP2 O75604 1/20 0.34
SCN1A P35498 1/20 0.34

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
SCHEMBL4135252 1.00 CHRM5 (0.40) CHRM5ADRA2CALDH1A1THRBKEAP1
Hydrochloric Acid SCHEMBL4126375 0.98 CHRM5 (0.39) CHRM5ADRA2CALDH1A1THRBKEAP1
Hydrochloric Acid SCHEMBL4126371 0.98 CHRM5 (0.39) CHRM5ADRA2CALDH1A1THRBKEAP1
SCHEMBL7562139 0.89 CHRM5 (0.48) CHRM5ADRA2CALDH1A1THRBKEAP1
SCHEMBL14535216 0.89 CHRM5 (0.48) CHRM5ADRA2CALDH1A1THRBKEAP1
SCHEMBL962458 0.88 HRH3 (0.38) CHRM5ADRA2CALDH1A1THRBKEAP1
SCHEMBL965292 0.88 HRH3 (0.38) CHRM5ADRA2CALDH1A1THRBKEAP1
SCHEMBL12915042 0.88 HRH3 (0.38) CHRM5ADRA2CALDH1A1THRBKEAP1
SCHEMBL8235039 0.83 GBA1 (0.41) CHRM5ADRA2CALDH1A1THRBSMN1; SMN2
Hydrochloric Acid SCHEMBL28386967 0.82 GBA1 (0.40) CHRM5ADRA2CALDH1A1THRBMEN1

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-4209130-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF DSM Nutritional Products, LLC (US) 2023-07-12 EP disclosed
EP-4205553-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF DSM Nutritional Products, LLC (US) 2023-07-05 EP disclosed
EP-3250048-B1 OLIGOSACCHARIDE COMPOSITIONS FOR USE ANIMAL FEED AND METHODS OF PRODUCING THEREOF CADENA BIO INC (US) 2019-08-14 EP disclosed
EP-3459975-A1 POLYMERIC ACID CATALYSTS AND USES THEREOF Cadena Bio, Inc. (US) 2019-03-27 EP disclosed
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 EP disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
WO-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
WO-2009071519-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
CN-101044137-A 2,4-di(aminophenyl)pyrimidine derivatives as plk inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-09-26 CN disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 WO disclosed
US-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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 (5 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-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents MKI67, CCNY, CCNO CHRM5 1188/4885ADRA2C 321/4885ALDH1A1 1245/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CHRM5 4149/4885ADRA2C 2177/4885ALDH1A1 971/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CHRM5 4149/4885ADRA2C 2177/4885ALDH1A1 971/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CHRM5 4329/4885ADRA2C 2211/4885ALDH1A1 2220/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CHRM5 4149/4885ADRA2C 2177/4885ALDH1A1 971/4885

“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.