SCHEMBL4488286

SCHEMBL4488286

COc1cc([N+](=O)[O-])ccc1OCC1CCN(C=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DRD4 P21917 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL5741174 0.94 CYP19A1 (0.42) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5741168 0.94 CYP19A1 (0.42) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4495673 0.87 CYP19A1 (0.49) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21644446 0.82 DRD4 (0.51) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1157229 0.81 CYP19A1 (0.55) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19462244 0.80 DRD4 (0.53) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19462245 0.80 DRD4 (0.53) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21646134 0.80 DRD4 (0.48) CYP19A1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5704493 0.79 CYP19A1 (0.59) CYP19A1ALDH1A1MAPTSMN1; SMN2DRD4
SCHEMBL5704513 0.79 CYP19A1 (0.62) CYP19A1ALDH1A1MAPTSMN1; SMN2DRD4

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 22 patents — showing the first 20. 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
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
EP-1664053-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2007-01-24 EP disclosed
EP-1664053-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2007-01-24 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-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US 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
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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 (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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 CYP19A1 434/4885SIGMAR1 4745/4885ALDH1A1 370/4885
US-20050070554-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, PAICS CYP19A1 3396/4885SIGMAR1 4077/4885ALDH1A1 774/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT CYP19A1 363/4885SIGMAR1 1619/4885ALDH1A1 433/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 CYP19A1 923/4885SIGMAR1 4561/4885ALDH1A1 1063/4885

“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.