SCHEMBL2006368

SCHEMBL2006368

CC(C)(C)OC(=O)N1CCN(CCNS(C)(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.47
TLR8 Q9NR97 1/20 0.45
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STS P08842 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STAT3 P40763 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1654121 0.87 ACKR3 (0.46) ACKR3TLR8USP2SMN1; SMN2STS
SCHEMBL39764 0.82 ACKR3 (0.50) ACKR3TLR8USP2SMN1; SMN2CHRM2
SCHEMBL8242595 0.81 USP2 (0.61) ACKR3TLR8USP2SMN1; SMN2CHRM2
SCHEMBL1547255 0.81 ACKR3 (0.44) ACKR3TLR8USP2SMN1; SMN2STS
SCHEMBL28385131 0.81 ACKR3 (0.49) ACKR3TLR8USP2SMN1; SMN2CHRM2
SCHEMBL309615 0.81 USP2 (0.46) ACKR3TLR8USP2SMN1; SMN2STS
SCHEMBL14768742 0.81 ACKR3 (0.49) ACKR3TLR8USP2SMN1; SMN2CHRM2
SCHEMBL15259105 0.79 ACKR3 (0.54) ACKR3TLR8USP2SMN1; SMN2CHRM2
SCHEMBL12204590 0.79 MEN1 (0.64) ACKR3SMN1; SMN2STSMEN1KMT2A
SCHEMBL19816644 0.79 NR1H2 (0.42) STSCHRM2CHRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964654-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-01-13 EP disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
WO-2014138562-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-12 WO disclosed
CN-101370799-B Cis-4, 5-diaryl-2-heterocycle-imidazolines as MDM2 inhibitors HOFFMANN LA ROCHE 2012-09-05 CN disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7705007-B2 Cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
CN-101370799-A Cis-4, 5-diaryl-2-heterocycle-imidazolines as MDM2 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
US-20070167437-A1 Cis-imidazolines FOTOUHI NADER 2007-07-19 US disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 US disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 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 (5 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-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C ACKR3 2041/4885TLR8 4679/4885USP2 1372/4885
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 ACKR3 3717/4885TLR8 1005/4885USP2 2305/4885
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 ACKR3 470/4885TLR8 4729/4885USP2 670/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 ACKR3 470/4885TLR8 4729/4885USP2 670/4885
US-20070167437-A1 Cis-imidazolines CCNI, CCNE1, CCNA1 ACKR3 3274/4885TLR8 4535/4885USP2 4325/4885

“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.