SCHEMBL105227

SCHEMBL105227

CC(C)CCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.44
DUSP3 P51452 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.43
SIGMAR1 Q99720 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL441441 0.94 KEAP1 (0.52) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL23179801 0.92 KEAP1 (0.47) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL8106724 0.92 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL8250393 0.92 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL28674027 0.92 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL104455 0.86 KDM4E (0.47) KEAP1SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL8648555 0.86 KDM4E (0.47) KEAP1SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL28575023 0.84 LMNA (0.46) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL25565620 0.84 GBA1 (0.46) SMN1; SMN2SIGMAR1HRH3LMNA
SCHEMBL3094624 0.83 KEAP1 (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
WO-2024098053-A1 POLYMER-NUCLEIC ACID NANOPARTICLES FOR GENE EDITING THE JOHNS HOPKINS UNIVERSITY (US) 2024-05-10 WO disclosed
WO-2024086814-A2 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2024-04-25 WO disclosed
EP-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 EP disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240018139-A1 NEW SMALL-MOLECULE COMPOUNDS FOR CONTROLLING ENDOSOMAL TOLL-LIKE RECEPTORS AND THERAPEUTIC AGENT FOR AUTOIMMUNE DISEASES USING SAME S&K THERAPEUTICS (KR) 2024-01-18 US disclosed
US-20240018139-A1 NEW SMALL-MOLECULE COMPOUNDS FOR CONTROLLING ENDOSOMAL TOLL-LIKE RECEPTORS AND THERAPEUTIC AGENT FOR AUTOIMMUNE DISEASES USING SAME S&K THERAPEUTICS (KR) 2024-01-18 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications S*BIO PTE LTD. (SG) 2007-02-22 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
WO-2007014839-A2 CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain SHEWCHUK LISA M 2007-01-11 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (9 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-20070043043-A1 Benzimidazole derivates: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC4 KEAP1 2384/4885SMN1; SMN2 3669/4885HPGD 218/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KEAP1 1571/4885SMN1; SMN2 4550/4885HPGD 2268/4885
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain FAM20C, FRS2, FRK KEAP1 3324/4885SMN1; SMN2 3432/4885HPGD 4707/4885
US-20240018139-A1 NEW SMALL-MOLECULE COMPOUNDS FOR CONTROLLING ENDOSOMAL TOLL-LIKE RECEPTORS AND THERAPEUTIC AGENT FOR AUTOIMMUNE DISEASES USING SAME TLR9, TLR8, TLR3 KEAP1 3972/4885SMN1; SMN2 3393/4885HPGD 4856/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK KEAP1 433/4885SMN1; SMN2 4577/4885HPGD 1357/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 KEAP1 1668/4885SMN1; SMN2 2812/4885HPGD 439/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS KEAP1 709/4885SMN1; SMN2 3607/4885HPGD 2020/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP KEAP1 1648/4885SMN1; SMN2 3180/4885HPGD 1136/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP KEAP1 205/4885SMN1; SMN2 3286/4885HPGD 2426/4885

“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.