SCHEMBL5043328

SCHEMBL5043328

N[C@@H](CO)[C@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2C P18825 1/20 0.56
LMNA P02545 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 2/20 0.54
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
AOC3 Q16853 4/20 0.48
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL15916220 1.00 KDM4E (0.56) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL605463 1.00 KDM4E (0.56) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL1162359 1.00 KDM4E (0.56) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL145000 1.00 KDM4E (0.56) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL2065907 1.00 KDM4E (0.56) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL147622 1.00 KDM4E (0.56) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL3363663 1.00 KDM4E (0.56) KDM4EADRA2AADRA2CLMNAHIF1A
Bromide SCHEMBL9771320 0.98 KDM4E (0.54) KDM4EADRA2AADRA2CLMNAHIF1A
Hydrochloric Acid SCHEMBL9779186 0.98 ALDH1A1 (0.57) KDM4EADRA2AADRA2CLMNAHIF1A
Benzoic Acid SCHEMBL6048463 0.87 DAO (0.48) KDM4EADRA2AADRA2CLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456183-B2 Guanidino compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-25 US disclosed
EP-1767525-A1 Guanidino compounds as melanocortin-4 receptor (MC4-R) agonists Novartis Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP disclosed
US-7189727-B2 Guanidino compounds CHIRON CORPORATION (US) 2007-03-13 US disclosed
EP-1385823-B1 GUANIDINO COMPOUNDS AS MELANOCORTIN-4 RECEPTOR (MC4-R) AGONISTS CHIRON CORP (US) 2006-12-13 EP disclosed
US-6960582-B2 Guanidino compounds CHIRON CORPORATION (US) 2005-11-01 US disclosed
US-6951882-B2 Substituted 4-phenyl-[1,3]-dioxanes JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-04 US disclosed
US-20050038027-A1 Novel guanidino compounds CHIRON CORPORATION 2005-02-17 US disclosed
EP-1385823-A4 NOVEL GUANIDINO COMPOUNDS CHIRON CORP (US) 2005-02-16 EP disclosed
US-20040248895-A1 Novel guanidino compounds CHU DANIEL (US) 2004-12-09 US disclosed
US-20040147593-A1 Substituted 4-phenyl-[1,3]-dioxanes JANSSEN PHARMACEUTICA, N.V. (BE) 2004-07-29 US disclosed
WO-2004052876-A1 SUBSTITUTED 4-PHENYL-[1,3]-DIOXANES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-06-24 WO disclosed
US-6716840-B2 AGONISTS OF THE MELANOCORTIN-4 RECEPTOR (?MC-4R?); USEFUL TREATING OBESITY AND TYPE 2 DIABETES CHIRON CORPORATION 2004-04-06 US disclosed
US-20040024211-A1 Novel guanidino compounds CHIRON CORPORATION 2004-02-05 US disclosed
EP-1385823-A1 NOVEL GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-02-04 EP disclosed
US-20020193595-A1 Novel guanidino compounds CHU DANIEL (US) 2002-12-19 US disclosed
WO-2002081443-A1 NOVEL GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2002-10-17 WO disclosed
US-5171753-A Derivatives of 2-amino-1-phenylethanol having antiulcer activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-12-15 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 (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-20050038027-A1 Novel guanidino compounds MC4R, MC3R, GCKR KDM4E 1005/4885ADRA2A 837/4885ADRA2C 318/4885
US-20040024211-A1 Novel guanidino compounds MC4R, MC5R, MC3R KDM4E 1318/4885ADRA2A 438/4885ADRA2C 202/4885
US-20020193595-A1 Novel guanidino compounds MC4R, MC5R, MC3R KDM4E 1005/4885ADRA2A 422/4885ADRA2C 175/4885
US-20040147593-A1 Substituted 4-phenyl-[1,3]-dioxanes HCRTR2, HCRTR1, GPR119 KDM4E 307/4885ADRA2A 291/4885ADRA2C 166/4885
US-20040248895-A1 Novel guanidino compounds MC4R, MC5R, MC3R KDM4E 1218/4885ADRA2A 315/4885ADRA2C 156/4885

“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.