SCHEMBL5144567

SCHEMBL5144567

CC(=O)OC(C[O])CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
ABCB1 P08183 4/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
CCKAR P32238 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL5144884 0.98 ABCB1 (0.44) SLC18A3ABCB1ALDH1A1MAPTHPGD
SCHEMBL5144569 0.85 MAPT (0.44) SLC18A3ABCB1ALDH1A1MAPTHPGD
SCHEMBL5146384 0.84 ALDH1A1 (0.47) SLC18A3ALDH1A1MEN1KMT2AUSP2
SCHEMBL5214576 0.84 ABCB1 (0.44) SLC18A3ABCB1ALDH1A1MAPTHPGD
SCHEMBL10555746 0.84 SLC18A3 (0.56) SLC18A3ABCB1ALDH1A1MAPTHPGD
SCHEMBL14378540 0.81 SLC18A3 (0.41) SLC18A3ABCB1ALDH1A1MAPTHPGD
SCHEMBL10553065 0.81 SLC18A3 (0.44) SLC18A3ABCB1ALDH1A1MAPTHPGD
SCHEMBL5147209 0.80 SLC18A3 (0.39) SLC18A3ABCB1ALDH1A1MEN1KMT2A
SCHEMBL13587962 0.77 POLB (0.53) POLBUSP2ALOX15TSHR
SCHEMBL10553158 0.76 USP2 (0.54) HPGDPOLBUSP2ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551420-A4 ARYL PHOSPHATE DERIVATIVES WITH SELECTIVE ACTIVITY AGAINST ADENOVIRUS AND HIV PARKER HUGHES INST (US) 2007-11-21 EP disclosed
EP-1575591-A4 HETEROCYCLES AND USES THEREOF ARIAD PHARMA INC (US) 2007-09-12 EP disclosed
US-7238679-B2 Heterocycles and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
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
EP-1575591-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2005-09-21 EP disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
EP-1551420-A1 ARYL PHOSPHATE DERIVATIVES WITH SELECTIVE ACTIVITY AGAINST ADENOVIRUS AND HIV Parker Hughes Institute (US) 2005-07-13 EP disclosed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
US-20040171586-A1 Heterocycles and uses thereof ARIAD PHARMACEUTICALS, INC. 2004-09-02 US disclosed
WO-2004058267-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
WO-2003105863-A1 ARYL PHOSPHATE DERIVATIVES WITH SELECTIVE ACTIVITY AGAINST ADENOVIRUS AND HIV PARKER HUGHES INSTITUTE (US) 2003-12-24 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 (2 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 SLC18A3 1355/4885ABCB1 661/4885ALDH1A1 315/4885
US-20040171586-A1 Heterocycles and uses thereof CBR1, CBR3, RCOR1 SLC18A3 3355/4885ABCB1 2320/4885ALDH1A1 3956/4885

“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.