SCHEMBL1546414

SCHEMBL1546414

CC(C)(C)OC(=O)N1CCN(CCN2CCCS2(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
HPGD P15428 1/20 0.40
ACKR3 P25106 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TERT O14746 1/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8242595 0.83 USP2 (0.61) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL23269711 0.82 USP2 (0.56) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL1570988 0.81 HPGD (0.41) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL23269712 0.81 USP2 (0.54) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL28830420 0.78 HPGD (0.47) USP2SMN1; SMN2HPGDRECQLEPHX1
SCHEMBL4704889 0.77 OPRM1 (0.33) SMN1; SMN2MEN1KMT2A
SCHEMBL20873847 0.77 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL15353080 0.76 SMN1; SMN2 (0.72) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL17782085 0.76 HPGD (0.49) USP2SMN1; SMN2CHRM2CHRM1CHRM4
SCHEMBL2616174 0.76 USP2 (0.51) USP2SMN1; SMN2CHRM2CHRM1CHRM4

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-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
CN-101400680-B Spiroindolinone derivatives HOFFMANN LA ROCHE 2012-04-25 CN disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-1996590-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
CN-101400680-A Spiroindolinone derivatives HOFFMANN LA ROCHE (CH) 2009-04-01 CN disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1996590-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-12-03 EP disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 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 (3 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS USP2 4562/4885SMN1; SMN2 2341/4885CHRM2 3933/4885
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 USP2 3893/4885SMN1; SMN2 1035/4885CHRM2 3482/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 USP2 4695/4885SMN1; SMN2 2112/4885CHRM2 4877/4885

“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.