SCHEMBL5207724

SCHEMBL5207724

CC(=O)N(CC(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
PIK3CD O00329 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP3 P08254 1/20 0.30

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
SCHEMBL26490762 0.82 CHRM2 (0.32) CA1CA12CA2CA9ALDH1A1
SCHEMBL22710014 0.82 CHRM2 (0.32) CA1CA12CA2CA9ALDH1A1
SCHEMBL20794159 0.80 CA1 (0.38) CA1CA12CA2CA9TAS2R14
SCHEMBL5209480 0.80 ALDH1A1 (0.46) CA1CA12CA2CA9PIK3CD
SCHEMBL20671897 0.80 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24256434 0.80 ALDH1A1 (0.37) CA1CA12CA2CA9PIK3CD
SCHEMBL2339336 0.79 CA1 (0.41) CA1CA12CA2CA9ALDH1A1
SCHEMBL24506648 0.78 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24894418 0.78 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7930800 0.78 CHRM1 (0.35) ALDH1A1TDP1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372528-A1 GLYCOCONJUGATES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2023-11-23 US disclosed
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS, INC., 2020-09-17 US disclosed
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 US disclosed
WO-2019243851-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 WO disclosed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 US disclosed
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed
US-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2015-06-18 US disclosed
US-9034866-B2 Tricyclic compounds and methods of use therefor GENENTECH, INC. (US) 2015-05-19 US disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 US disclosed
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (8 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-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA CA1 4219/4885CA12 4457/4885CA2 3755/4885
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 CA1 2740/4885CA12 2145/4885CA2 1633/4885
US-20230372528-A1 GLYCOCONJUGATES CD22, SIGLEC7, CD47 CA1 1476/4885CA12 436/4885CA2 3843/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA CA1 4219/4885CA12 4457/4885CA2 3755/4885
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CA1 2855/4885CA12 2111/4885CA2 220/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CA1 2855/4885CA12 2111/4885CA2 220/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CA1 2855/4885CA12 2111/4885CA2 220/4885
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MC4R, MC5R, MC3R CA1 4883/4885CA12 4874/4885CA2 4789/4885

“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.