SCHEMBL2418461

SCHEMBL2418461

CC(=O)N1CCN[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.47
HRH4 Q9H3N8 1/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNB3 Q05901 2/20 0.43
CHRNA6 Q15825 2/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 1/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
REN P00797 1/20 0.36
CA2 P00918 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2418463 1.00 BIRC2 (0.47) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL2422071 1.00 BIRC2 (0.47) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL18150389 0.98 BIRC2 (0.46) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL4223891 0.98 BIRC2 (0.46) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL15105232 0.88 BIRC2 (0.40) BIRC2HRH4CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL15105233 0.88 BIRC2 (0.40) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL28120270 0.84 BIRC2 (0.49) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL28048803 0.84 BIRC2 (0.49) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL27957087 0.84 BIRC2 (0.49) BIRC2HRH4CHRNB2CHRNA3CHRNA4
SCHEMBL190024 0.83 BIRC2 (0.47) BIRC2HRH4CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551867-B Fused tricyclic compounds, pharmaceutical compositions and uses thereof 劲方医药科技(上海)有限公司 2024-02-20 CN disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
CN-115551867-A Fused tricyclic compound, pharmaceutical composition and application thereof 劲方医药科技(上海)有限公司 2022-12-30 CN disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
WO-2013163466-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-10-31 WO disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines WU WENXUE 2010-09-30 US disclosed
US-7745626-B2 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION (US) 2010-06-29 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP disclosed
US-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds NEUROGEN CORPORATION 2008-06-19 US disclosed
US-7326709-B2 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION (US) 2008-02-05 US disclosed
CN-1045972-A 5-replaces-1,4-dihydro-4-oxo-naphthyridine-3-carboxylic acid (ester) antimicrobial drug BRISTOL MYERS SQUIBB CO (US) 1990-10-10 CN 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-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds GABBR1, GABBR2, GABRA4 BIRC2 4799/4885HRH4 453/4885CHRNB2 108/4885
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R BIRC2 4302/4885HRH4 85/4885CHRNB2 450/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 BIRC2 1348/4885HRH4 1600/4885CHRNB2 4797/4885
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 BIRC2 3186/4885HRH4 3845/4885CHRNB2 4825/4885
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines ALKBH5, AZI2, PNMT BIRC2 1055/4885HRH4 1756/4885CHRNB2 3085/4885

“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.