SCHEMBL3326034

SCHEMBL3326034

CCOC(=O)CC(C(C)=O)C(=O)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 7/20 0.38
TRPA1 O75762 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP1A2 P05177 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
SCHEMBL11240618 0.90 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1194353 0.84 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28036047 0.80 GAA (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL460011 0.80 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27845082 0.80 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27828 0.80
SCHEMBL14485615 0.79 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1195198 0.79 CYP1A2 (0.39) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL29184752 0.78 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
Ethane SCHEMBL15442720 0.78 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411431-A1 Novel compounds and their use in therapy IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-12-29 US disclosed
US-11466011-B2 Compounds and their use as inhibitors of N-myristoyl transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-10-11 US disclosed
EP-3313833-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF N-MYRISTOYL TRANSFERASE IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2021-01-06 EP disclosed
US-20200339586-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-10-29 US disclosed
US-10759804-B2 Compounds and their use as inhibitors of N-myristoyl transferase IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-09-01 US disclosed
US-20180370974-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase IMPERIAL INNOVATIONS LIMITED (GB) 2018-12-27 US disclosed
EP-3313833-A1 COMPOUNDS AND THEIR USE AS INHIBITORS OF N-MYRISTOYL TRANSFERASE Imperial Innovations Ltd (GB) 2018-05-02 EP disclosed
WO-2017001812-A1 COMPOUNDS AND THEIR USE AS INHIBITORS OF N-MYRISTOYL TRANSFERASE IMPERIAL INNOVATIONS LIMITED (GB) 2017-01-05 WO disclosed
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
EP-2040700-B1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION GLAXO GROUP LTD (GB) 2010-11-24 EP disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2009074519-A1 COMBINATIONS OF PYRAZOLYL OR ISOXAZOLYL P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
US-20090149524-A1 N-(Phenylmethyl)-2-(1H-Pyrazol-4-yl) Acetamide Derivatives as P2X7 Antagonists for the Treatment of Pain, Inflammation and Neurodegeneration GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
EP-2040700-A1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
WO-2007141267-A1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION GLAXO GROUP LIMITED (GB) 2007-12-13 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 (7 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-10759804-B2 Compounds and their use as inhibitors of N-myristoyl transferase NMT1, NMT2, GNMT MGAM 402/4885GAA 580/4885SI 992/4885
US-20090149524-A1 N-(Phenylmethyl)-2-(1H-Pyrazol-4-yl) Acetamide Derivatives as P2X7 Antagonists for the Treatment of Pain, Inflammation and Neurodegeneration P2RX3, P2RX7, P2RX1 MGAM 4030/4885GAA 2136/4885SI 3758/4885
US-20220411431-A1 Novel compounds and their use in therapy NMT1, NMT2, FNTA MGAM 810/4885GAA 526/4885SI 1721/4885
US-11466011-B2 Compounds and their use as inhibitors of N-myristoyl transferase NMT1, NMT2, GNMT MGAM 402/4885GAA 580/4885SI 992/4885
US-20180370974-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase NMT1, NMT2, GNMT MGAM 402/4885GAA 580/4885SI 992/4885
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 MGAM 4874/4885GAA 4789/4885SI 4743/4885
US-20200339586-A1 Compounds And Their Use As Inhibitors Of N-Myristoyl Transferase NMT1, NMT2, GNMT MGAM 402/4885GAA 580/4885SI 992/4885

“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.