SCHEMBL4546644

SCHEMBL4546644

CC(C)C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
HRH3 Q9Y5N1 13/20 0.47
KCNH2 Q12809 4/20 0.47
CYP2D6 P10635 2/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
CHRNA7 P36544 1/20 0.41

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
SCHEMBL14866471 0.92 CHRM1 (0.52) CHRM1HRH3KCNH2CYP2D6CHRNA7
SCHEMBL26295517 0.88 POLB (0.48) CHRM1HRH3KCNH2CYP2D6CHRNB2
SCHEMBL674660 0.87
SCHEMBL22753493 0.87 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546617 0.87 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25075231 0.85 MAOB (0.47) CHRM1HRH3KCNH2CYP2D6
SCHEMBL12990734 0.84 CHRM1 (0.46) CHRM1HRH3KCNH2CYP2D6CHRNA7
SCHEMBL22253828 0.82 CHRM1 (0.45) CHRM1HRH3KCNH2CYP2D6CHRNA7
SCHEMBL20444029 0.82 CHRM1 (0.45) CHRM1HRH3KCNH2CYP2D6CHRNA7
SCHEMBL25135382 0.82 CHRM1 (0.45) CHRM1HRH3KCNH2CYP2D6CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
WO-2024064237-A2 DMD ANTISENSE OLIGONUCLEOTIDE-MEDIATED EXON SKIPPING EFFICIENCY SAREPTA THERAPEUTICS, INC. (US) 2024-03-28 WO disclosed
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. 2024-02-29 US disclosed
US-20240024488-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-01-25 US disclosed
US-20240024488-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-01-25 US disclosed
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
EP-4306538-A2 PEPTIDE OLIGONUCLEOTIDE CONJUGATES Sarepta Therapeutics, Inc. (US) 2024-01-17 EP disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20080255147-A1 Heterocycles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-10-16 US disclosed
US-20080090837-A1 Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; VERTEX PHARMACEUTICALS INCORPORATED 2008-04-17 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-7247634-B2 Rifamycin derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-24 US disclosed
US-20070099873-A1 Quinolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US disclosed
US-20070082889-A1 Pyridines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-12 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 (14 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A CHRM1 2295/4885HRH3 3715/4885KCNH2 653/4885
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 CHRM1 4375/4885HRH3 3345/4885KCNH2 4869/4885
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 CHRM1 119/4885HRH3 316/4885KCNH2 120/4885
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 CHRM1 4680/4885HRH3 4228/4885KCNH2 4858/4885
US-20080090837-A1 Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; CACNA1B, SCN1A, CACNA1S CHRM1 564/4885HRH3 449/4885KCNH2 47/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R CHRM1 1642/4885HRH3 604/4885KCNH2 4828/4885
US-20070082889-A1 Pyridines useful as modulators of ion channels KCNH2, KCNQ1, KCNQ2 CHRM1 452/4885HRH3 839/4885KCNH2 1/4885
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels KCNJ1, KCNJ2, KCNJ11 CHRM1 1880/4885HRH3 1333/4885KCNH2 5/4885
US-20080255147-A1 Heterocycles useful as modulators of ion channels KCNJ2, TRPV1, KCNJ1 CHRM1 1200/4885HRH3 580/4885KCNH2 4/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 CHRM1 1983/4885HRH3 758/4885KCNH2 3388/4885
US-20070099873-A1 Quinolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNQ5 CHRM1 435/4885HRH3 543/4885KCNH2 10/4885
US-20240024488-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CHRM1 4840/4885HRH3 3347/4885KCNH2 4316/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 CHRM1 1038/4885HRH3 652/4885KCNH2 2810/4885
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS TPX2, H1-4, MAPT CHRM1 39/4885HRH3 349/4885KCNH2 4564/4885

“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.