SCHEMBL3274885

SCHEMBL3274885

CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.71
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
UCHL1 P09936 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP30 Q70CQ3 1/20 0.45
WNT3 P56703 2/20 0.44
SFRP1 Q8N474 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6973694 1.00 HSD17B10 (0.71) HSD17B10HRH2HRH1UCHL1SMN1; SMN2
SCHEMBL13779912 1.00 HSD17B10 (0.71) HSD17B10HRH2HRH1UCHL1SMN1; SMN2
SCHEMBL13779915 0.96 HSD17B10 (0.66) HSD17B10HRH2HRH1UCHL1SMN1; SMN2
SCHEMBL5219163 0.90 HSD17B10 (0.77) HSD17B10HRH2HRH1UCHL1HPGD
SCHEMBL3280014 0.90 HSD17B10 (0.77) HSD17B10HRH2HRH1UCHL1HPGD
SCHEMBL18461898 0.90 HSD17B10 (0.77) HSD17B10HRH2HRH1UCHL1HPGD
SCHEMBL30065870 0.89 HSD17B10 (0.76) HSD17B10HRH2HRH1UCHL1SMN1; SMN2
SCHEMBL3274878 0.88 HSD17B10 (0.75) HSD17B10HRH2HRH1UCHL1HPGD
SCHEMBL6979623 0.88 HSD17B10 (0.75) HSD17B10HRH2HRH1UCHL1HPGD
SCHEMBL5429775 0.87 HSD17B10 (0.72) HSD17B10HRH2HRH1UCHL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS HENNEQUIN LAURENT FRANCOIS ANDRE 2010-11-04 US disclosed
US-7696214-B2 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2010-04-13 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-20060258642-A1 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB 2006-11-16 US disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US disclosed
EP-1450808-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-06-15 EP disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
US-20040214841-A1 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2004-10-28 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 (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-20060258642-A1 Quinazoline derivatives for the treatment of tumours TPD52L2, NQO2, H1-5 HSD17B10 4548/4885HRH2 295/4885HRH1 658/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 HSD17B10 4036/4885HRH2 37/4885HRH1 48/4885
US-20040214841-A1 Quinazoline derivatives for treatment of tumours NQO2, TOP1, TPD52L2 HSD17B10 4763/4885HRH2 291/4885HRH1 574/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 HSD17B10 4548/4885HRH2 295/4885HRH1 658/4885

“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.