SCHEMBL4779097

SCHEMBL4779097

CC(N)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EPHX1 P07099 3/20 0.35
ANPEP P15144 2/20 0.35
ERAP2 Q6P179 2/20 0.35
KDM4E B2RXH2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 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
Hydrochloric Acid SCHEMBL11553334 0.97 GAA (0.41) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL26717117 0.97
SCHEMBL7776775 0.80 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL18844888 0.80 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL22369902 0.80 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL19705361 0.80 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL19966112 0.80 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL278463 0.80 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL104545 0.80 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL4351036 0.78 GAA (0.32) GAAL3MBTL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028604-B Preparation method of cyclohexyl piperazine 万华化学集团股份有限公司 2023-09-19 CN disclosed
CN-115028604-A Preparation method of cyclohexyl piperazine 万华化学集团股份有限公司 2022-09-09 CN disclosed
CN-105802277-A Pigment composition, coloring composition, and manufacturing method for pigment composition 大日精化工业株式会社 2016-07-27 CN disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
US-7459016-B2 Method for the production of phthalocyanine pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-12-02 US disclosed
US-7377974-B2 Use of a pigment preparation based on C.I. pigment yellow 74 CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-05-27 US disclosed
US-7255734-B2 Phthalocyanine pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-08-14 US disclosed
US-20070125260-A1 Use of a pigment preparation based on c.i. pigment yellow 74 CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-06-07 US disclosed
US-20060137573-A1 Phthalocyanine pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-06-29 US disclosed
US-20060112856-A1 Method for the production of phthalocyanine pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-06-01 US disclosed
US-4995997-A Containing aromatic amine YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-26 US disclosed
EP-0388320-A1 Antibacterial water-soluble cutting fluids resistant to yeast-like fungi YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) 1990-09-19 EP disclosed
US-4321061-A Motor fuel PHILLIPS PETROLEUM COMPANY (US) 1982-03-23 US disclosed
US-4173542-A Hydraulic fluid comprising a borate ester and corrosion inhibiting amounts of an oxyalkylated alicyclic amine SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1979-11-06 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 (1 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-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 GAA 2262/4885L3MBTL1 3083/4885ALDH1A1 855/4885

“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.