SCHEMBL5216019

SCHEMBL5216019

CC(C)(C)OC(=O)N1CCN(CCC[O])CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TLR8 Q9NR97 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
ACKR3 P25106 4/20 0.45
EPHX2 P34913 4/20 0.43
HPGD P15428 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL20873847 0.91 USP2 (0.53) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL15474971 0.90 USP2 (0.51) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL8253901 0.90 USP2 (0.51) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL16993048 0.89 TLR8 (0.48) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL8242595 0.88 USP2 (0.61) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL17782085 0.87 HPGD (0.49) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL214593 0.87 USP2 (0.49) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL4543892 0.87 TLR8 (0.55) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL1629939 0.85 USP2 (0.47) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL8526096 0.85 TLR8 (0.54) USP2SMN1; SMN2TLR8CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO 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
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP 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 (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 USP2 4492/4885SMN1; SMN2 2546/4885TLR8 1210/4885
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC USP2 519/4885SMN1; SMN2 4284/4885TLR8 2663/4885

“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.