SCHEMBL489823

SCHEMBL489823

CN(C)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP30 Q70CQ3 6/20 0.47
UCHL1 P09936 3/20 0.47
SCN4A P35499 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2492664 0.95 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5427850 0.95 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5427853 0.95 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL15855803 0.90 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2495912 0.90 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL7122083 0.88 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL7129588 0.88 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL7122088 0.88 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25395953 0.87 HSD17B10 (0.53) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1584759 0.87 HSD17B10 (0.53) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772277-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-08 US disclosed
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 EP disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 HSD17B10 2241/4885SMN1; SMN2 3600/4885NPC1 2790/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 HSD17B10 4036/4885SMN1; SMN2 2546/4885NPC1 3182/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 HSD17B10 2241/4885SMN1; SMN2 3600/4885NPC1 2790/4885

“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.