SCHEMBL1241407

SCHEMBL1241407

O=C(CN1CCNCC1)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ SIGMAR1 Q99720 5/20 0.36
▸ EGFR P00533 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL29673006 0.98 CHRM5 (0.38) CHRM5CHRM3SIGMAR1EGFRMEN1
SCHEMBL14522328 0.93 CHRM5 (0.35) CHRM5CHRM3SIGMAR1EGFR
SCHEMBL12038457 0.93 CHRM5 (0.35) CHRM5CHRM3SIGMAR1EGFR
SCHEMBL12231841 0.91 CHRM5 (0.34) CHRM5CHRM3SIGMAR1EGFR
SCHEMBL20976685 0.84 MEN1 (0.35) MEN1KMT2ADDB1CRBN
SCHEMBL3690735 0.83 PLA2G10 (0.37) CHRM5CHRM3SIGMAR1DDB1CRBN
SCHEMBL1241402 0.83 GAA (0.41) CHRM5CHRM3MEN1KMT2A
SCHEMBL6666931 0.83 SLC6A9 (0.33) CHRM5CHRM3MGLL
SCHEMBL560792 0.81 HSD17B10 (0.39) MEN1KMT2AMGLL
SCHEMBL15518427 0.81 HSD17B10 (0.39) MEN1KMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8679773-B2 Kits pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-03-25 — — US disclosed
EP-2251334-B1 Labeling reagents and labeled analytes DH TECHNOLOGIES DEV PTE LTD (SG) 2013-08-14 — — EP disclosed
US-8273706-B2 Isobarically labeled analytes and fragment ions derived therefrom DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2012-09-25 — — US disclosed
US-20110217720-A1 Compositions and Kits Pertaining to Analyte Determination PAPPIN DARRYL J C 2011-09-08 — — US disclosed
EP-1588145-B1 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION LIFE TECHNOLOGIES CORP (US) 2011-07-06 — — EP disclosed
US-20110143445-A1 Analysis of Amino Acids And Amine-Containing Compounds Using Tagging Reagents and LC-MS Workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2011-06-16 — — US disclosed
US-7947513-B2 Sets and compositions pertaining to analyte determination DH Technologies Ptd. Ltd. (SG) 2011-05-24 — — US disclosed
US-7910059-B2 For the determination of an analyte or analytes such as proteins, peptides, nucleic acids, carbohydrates, lipids, steroids and small molecules by mass analysis DH TECHNOLOGIES PTE. LTD. (SG) 2011-03-22 — — US disclosed
US-20110045516-A1 Kits Pertaining to Analyte Determination APPLERA CORPORATION (US) 2011-02-24 — — US disclosed
EP-2251334-A1 Labeling reagents and labeled analytes Life Technologies Corporation (US) 2010-11-17 — — EP disclosed
US-7195751-B2 Compositions and kits pertaining to analyte determination APPLERA CORPORATION (US) 2007-03-27 — — US disclosed
EP-1701945-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF Applera Corporation (US) 2006-09-20 — — EP disclosed
US-20060105416-A1 Methods, compositions and kits pertaining to analyte determination APPLERA CORPORATION (US) 2006-05-18 — — US disclosed
EP-1588145-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2005-10-26 — — EP disclosed
WO-2005068446-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF APPLERA CORPORATION (US) 2005-07-28 — — WO disclosed
US-20050148087-A1 Isobarically labeled analytes and fragment ions derived therefrom APPLERA CORPORATION 2005-07-07 — — US disclosed
US-20040219686-A1 Methods and mixtures pertaining to analyte determination APPLIED BIOSYSTEMS, LLC 2004-11-04 — — US disclosed
US-20040220412-A1 Compositions and kits pertaining to analyte determination APPLE CORPORATION 2004-11-04 — — US disclosed
US-20040219685-A1 Methods and mixtures pertaining to analyte determination using electrophilic labeling reagents APPLERA CORPORATION 2004-11-04 — — US disclosed
WO-2004070352-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2004-08-19 — — 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 (3 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-20060105416-A1 Methods, compositions and kits pertaining to analyte determination SRMS, SHBG, KLK3 CHRM5 1872/4885CHRM3 1881/4885SIGMAR1 4337/4885
US-20050148087-A1 Isobarically labeled analytes and fragment ions derived therefrom KLK3, SRMS, PTMS CHRM5 4346/4885CHRM3 3442/4885SIGMAR1 4000/4885
US-20040220412-A1 Compositions and kits pertaining to analyte determination KLK3, SRMS, SHBG CHRM5 2165/4885CHRM3 2094/4885SIGMAR1 4443/4885

“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.

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