SCHEMBL74236

SCHEMBL74236

CCS(=O)(=O)N1CC[N]CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
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
SCHEMBL75770 0.86 KDM4E (0.45) POLBL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL73678 0.83 NPC1 (0.38) POLBL3MBTL1NPSR1KDM4EALDH1A1
SCHEMBL7509825 0.81 FAAH (0.38) L3MBTL1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL8341632 0.80 POLB (0.52) POLBL3MBTL1NPSR1KDM4EALDH1A1
SCHEMBL28242652 0.80
SCHEMBL24997068 0.80 POLB (0.52) POLBL3MBTL1NPSR1KDM4EALDH1A1
SCHEMBL10464787 0.80 FAAH (0.41) L3MBTL1KDM4EHSD17B10
SCHEMBL7505022 0.80 FAAH (0.41) L3MBTL1KDM4EHSD17B10
SCHEMBL3549851 0.78 PIK3CD (0.32) KDM4EHSD17B10
SCHEMBL3548641 0.77 SMO (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024051766-A1 MOLECULAR GLUE COMPOUND BASED ON CEREBLON PROTEIN DESIGN AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-03-14 WO claimed
EP-3704102-B1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS US HEALTH (US) 2024-02-28 EP claimed
CN-115232118-A Protein kinase inhibitory activity small molecule and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-10-25 CN claimed
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-05-12 US claimed
EP-3932922-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF ShanghaiTech University (CN) 2022-01-05 EP claimed
US-20170152269-A1 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS CDK INHIBITORS ANONCO SCIENCES, INC. (US) 2017-06-01 US claimed
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP claimed
US-9096546-B2 Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-08-04 US claimed
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US claimed
US-8987252-B2 Aryloxy- and heteroaryloxy-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-24 US claimed
US-20040029898-A1 Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2004-02-12 US claimed
JP-2004502763-A 2004-01-29 JP claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 US claimed
EP-1337524-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP claimed
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 EP claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2002044166-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-06-06 WO claimed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 WO claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed

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-20040029898-A1 Substituted quinolines as antitumor agents NQO2, NQO1, TP53 POLB 2116/4885L3MBTL1 4744/4885NPSR1 1586/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R POLB 4332/4885L3MBTL1 1377/4885NPSR1 8/4885
US-20170152269-A1 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS CDK INHIBITORS CDK2, CDK1, CDK9 POLB 489/4885L3MBTL1 1133/4885NPSR1 4429/4885
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF GLS, SQOR, GCDH POLB 3067/4885L3MBTL1 2098/4885NPSR1 3238/4885
US-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 POLB 50/4885L3MBTL1 2158/4885NPSR1 2794/4885

“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.