SCHEMBL5216741

SCHEMBL5216741

NC(=O)C1CCCN1CCO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
POLB P06746 2/20 0.40
SPHK1 Q9NYA1 1/20 0.39
SCN3A Q9NY46 1/20 0.38
LMNA P02545 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GRM2 Q14416 1/20 0.36
NR1I2 O75469 1/20 0.35
HSD11B1 P28845 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
BCHE P06276 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.33
KCNK3 O14649 1/20 0.33

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
SCHEMBL3740451 1.00 HTT (0.49) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL3276057 1.00 HTT (0.49) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL25833199 0.94 HTT (0.44) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL3388069 0.94 HTT (0.44) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL1466679 0.89 HTT (0.40) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL1466682 0.89 HTT (0.40) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL16106745 0.89 HTT (0.40) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL3276055 0.85 POLB (0.40) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL5216730 0.85 POLB (0.40) HTTPOLBSPHK1SCN3ALMNA
SCHEMBL12201786 0.84 POLB (0.42) HTTPOLBSPHK1SCN3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP 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-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 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 (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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 HTT 1814/4885POLB 3897/4885SPHK1 2670/4885

“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.