SCHEMBL6330683

SCHEMBL6330683

C1COCN(CN2CCCOC2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3380412 0.82 USP2 (0.40) TSHRALDH1A1
SCHEMBL24801781 0.79
SCHEMBL40427 0.79
SCHEMBL16865692 0.79 ADRA2B (0.32)
SCHEMBL11352325 0.75
SCHEMBL26995684 0.75
SCHEMBL12534254 0.75
SCHEMBL23665160 0.74 PIK3CD (0.40) ALDH1A1
SCHEMBL6016499 0.74
SCHEMBL27283986 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982993-B1 PRESERVATIVE COMPOSITIONS BASED ON IODOPROPYNL- AND FORMALDEHYDE DONOR COMPOUNDS AIR LIQUIDE SANTE INT (FR) 2004-03-24 EP claimed
US-20040036056-A1 Non-formaldehyde reinforced thermoset plastic composites SHEA LAWRENCE E (US) 2004-02-26 US claimed
US-6469060-B2 BACTERICIDES, FUNGICIDES AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2002-10-22 US claimed
US-6355679-B1 BACTERICIDES, FUNGICIDES AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2002-03-12 US claimed
US-4178375-A ANTIBACTERIAL, ANTIFUNGAL STERLING DRUG INC. (US) 1979-12-11 US claimed
US-9844555-B2 Oxathiazine derivatives as antibacterial and anticancer agents GEISTLICH PHARMA AG (CH) 2017-12-19 US disclosed
US-20170196876-A1 OXATHIAZINE DERIVATIVES AS ANTIBACTERIAL AND ANTICANCER AGENTS GEISTLICH PHARMA AG (CH) 2017-07-13 US disclosed
US-9624187-B2 Oxathiazine derivatives as antibacterial and anticancer agents GEISTLICH PHARMA AG (CH) 2017-04-18 US disclosed
US-20160159759-A1 OXATHIAZINE DERIVATIVES AS ANTIBACTERIAL AND ANTICANCER AGENTS GEISTLICH PHARMA AG (CH) 2016-06-09 US disclosed
US-8895043-B2 Reducing formaldehyde emissions in formal-containing compositions AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2014-11-25 US disclosed
EP-1402778-B1 Low-emission formaldehyde donor preparations and use thereof AIR LIQUIDE SANTÉ INTERNATIONAL (FR) 2014-10-01 EP disclosed
US-20140024689-A1 REDUCING FORMALDEHYDE EMISSIONS IN FORMAL-CONTAINING COMPOSITIONS AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2014-01-23 US disclosed
EP-1402778-A1 Low-emission formaldehyde donor preparations and use thereof Air Liquide Santé (International) (FR) 2004-03-31 EP disclosed
EP-0982993-B1 PRESERVATIVE COMPOSITIONS BASED ON IODOPROPYNL- AND FORMALDEHYDE DONOR COMPOUNDS AIR LIQUIDE SANTE INT (FR) 2004-03-24 EP disclosed
US-20040036056-A1 Non-formaldehyde reinforced thermoset plastic composites SHEA LAWRENCE E (US) 2004-02-26 US disclosed
US-6469060-B2 BACTERICIDES, FUNGICIDES AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2002-10-22 US disclosed
US-6355679-B1 BACTERICIDES, FUNGICIDES AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2002-03-12 US disclosed
US-20010034366-A1 Compositions based on iodopropynyl-and formaldehyde donor compounds and to their use as preservatives AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2001-10-25 US disclosed
US-4178375-A ANTIBACTERIAL, ANTIFUNGAL STERLING DRUG INC. (US) 1979-12-11 US disclosed
US-4148905-A PREVENTING OR RETARDING GROWTH OF BACTERIA OR FUNGI STERLING DRUG INC. (US) 1979-04-10 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 (2 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-20170196876-A1 OXATHIAZINE DERIVATIVES AS ANTIBACTERIAL AND ANTICANCER AGENTS TOP2A, OXA1L, TOP1 PDK1 2157/4885PDK2 863/4885PDK3 1030/4885
US-20160159759-A1 OXATHIAZINE DERIVATIVES AS ANTIBACTERIAL AND ANTICANCER AGENTS TOP2A, OXA1L, TOP1 PDK1 2157/4885PDK2 863/4885PDK3 1030/4885

“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.