SCHEMBL4496249

SCHEMBL4496249

CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.51
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARD Q03181 2/20 0.45
ACHE P22303 1/20 0.45
SLC6A4 P31645 1/20 0.45
GAA P10253 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
SCHEMBL4819048 0.92 ALDH1A1 (0.50) KCNH2MAPTALDH1A1ACHESLC6A4
SCHEMBL16682352 0.86 KCNH2 (0.60) KCNH2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL991681 0.85 KCNH2 (0.54) KCNH2MAPTPPARDACHESLC6A4
SCHEMBL6181736 0.83 KCNH2 (0.57) KCNH2MAPTALDH1A1CRHBPCRHR2
SCHEMBL30849521 0.82 KCNH2 (0.50) KCNH2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL4480987 0.82 TDP1 (0.45) ALDH1A1
SCHEMBL6247395 0.82 KCNH2 (0.56) KCNH2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL3153356 0.81 NR1D1 (0.49)
SCHEMBL12925089 0.81 KCNH2 (0.55) KCNH2MAPTALDH1A1CRHBPCRHR2
SCHEMBL25718431 0.81 KCNH2 (0.54) KCNH2MAPTCRHBPCRHR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1664053-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2007-01-24 EP disclosed
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
EP-1664053-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2006-06-07 EP disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed
US-20050070554-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-03-31 US disclosed
WO-2005021551-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-03-10 WO disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 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-20050070554-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, PAICS KCNH2 2536/4885MAPT 2631/4885ALDH1A1 774/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 KCNH2 4398/4885MAPT 333/4885ALDH1A1 1063/4885
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 KCNH2 4150/4885MAPT 353/4885ALDH1A1 1306/4885

“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.