SCHEMBL2742839

SCHEMBL2742839

C[C@H]1COC(C2=N[C@@H](C)CO2)=N1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.31
GAA P10253 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
SCHEMBL17552003 1.00 ADRA2A (0.42) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL17551978 1.00 ADRA2A (0.42) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL381475 0.83 MEN1 (0.46) MAPTNPC1
SCHEMBL11254435 0.82 MAPT (0.34) ADRA2AADRA2BMAPT
SCHEMBL2119357 0.79 MAPT (0.55) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL2044082 0.78 MAPT (0.54) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL7386839 0.78 MAPT (0.47) MAPTNPC1
SCHEMBL5176371 0.76 KDM4E (0.44) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL14154741 0.76 KDM4E (0.44) ADRA2AADRA2BMAPTNPC1GAA
SCHEMBL12731994 0.76 MAPT (0.51) MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF (US) 2019-01-31 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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 (4 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-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES CPNE4, FTH1, HRH3 ADRA2A 3394/4885ADRA2B 4234/4885MAPT 4711/4885
US-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 ADRA2A 805/4885ADRA2B 951/4885MAPT 4649/4885
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 ADRA2A 2692/4885ADRA2B 3327/4885MAPT 3670/4885
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 ADRA2A 2692/4885ADRA2B 3327/4885MAPT 3670/4885

“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.