SCHEMBL4497811

SCHEMBL4497811

CN(C)C(=O)[C@@H]1CCCN1CC[O]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.39
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 1/20 0.35
CASP3 P42574 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
KCNK3 O14649 1/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.33
OPRL1 P41146 1/20 0.32
LTA4H P09960 2/20 0.32
GLI1 P08151 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
SLC6A1 P30531 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5622827 1.00 BCHE (0.39) BCHEHTTNR1I2KCNH2MCHR1
SCHEMBL4497813 0.86 HTT (0.49) BCHEHTTNR1I2KCNH2MCHR1
SCHEMBL5622831 0.86 HTT (0.49) BCHEHTTNR1I2KCNH2MCHR1
SCHEMBL12847055 0.86 BCHE (0.46) BCHEHTTNR1I2KCNH2KCNK3
SCHEMBL15473830 0.85 BCHE (0.38) BCHEHTTNR1I2KCNH2MCHR1
SCHEMBL1885938 0.83 HTT (0.41) BCHEHTTNR1I2KCNH2MCHR1
SCHEMBL16511104 0.83 NR1I2 (0.51) BCHENR1I2KCNH2KCNK3LMNA
SCHEMBL1885940 0.83 HTT (0.41) BCHEHTTNR1I2KCNH2MCHR1
SCHEMBL14155721 0.82 BCHE (0.41) BCHEHTTNR1I2KCNH2MCHR1
SCHEMBL12521647 0.82 BCHE (0.41) BCHEHTTNR1I2KCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US claimed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US claimed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 US claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US disclosed
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 EP disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 US disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 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 (1 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-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG BCHE 2282/4885HTT 1705/4885NR1I2 481/4885

“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.