SCHEMBL2188367

SCHEMBL2188367

CC(C)(C)OC(=O)N1CCC2(CCc3cc(Cl)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.47
STS P08842 3/20 0.44
NR1H2 P55055 1/20 0.44
ANO1 Q5XXA6 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
HSD11B1 P28845 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL31758626 1.00 MEN1 (0.47) MEN1KMT2AESR2STSNR1H2
SCHEMBL2500184 0.93 HSD11B1 (0.47) MEN1KMT2AESR2STSNR1H2
SCHEMBL4917653 0.92 MEN1 (0.48) MEN1KMT2AESR2STSNR1H2
SCHEMBL327558 0.89 ESR2 (0.60) MEN1KMT2AESR2NR1H2GPR119
SCHEMBL25322292 0.86 ESR2 (0.44) ESR2NR1H2GPR119HDAC1HDAC8
SCHEMBL327514 0.86 STS (0.48) MEN1KMT2AESR2STSNR1H2
SCHEMBL29475527 0.86 ESR2 (0.44) ESR2NR1H2GPR119HDAC1HDAC8
SCHEMBL30695726 0.86 NR1H2 (0.61) ESR2NR1H2GPR119HDAC1HDAC8
SCHEMBL2493775 0.85 HSD11B1 (0.48) MEN1KMT2AESR2STSNR1H2
SCHEMBL2109651 0.83 RBP4 (0.51) SIGMAR1HSD11B1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES SYNGENTA CROP PROTECTION LLC 2014-01-30 US disclosed
US-8354423-B2 Insecticidal spironindane derivatives SYNGENTA CROP PROTECTION LLC (US) 2013-01-15 US disclosed
EP-1697327-B1 INSECTICIDAL SPIROINDANE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-07-13 EP disclosed
US-20080306101-A1 Insecticidal Spironindane Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2008-12-11 US disclosed
EP-1697327-A1 INSECTICIDAL SPIROINDANE DERIVATIVES Syngenta Participations AG (CH) 2006-09-06 EP disclosed
WO-2005058836-A1 INSECTICIDAL SPIROINDANE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 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-20080306101-A1 Insecticidal Spironindane Derivatives NR1D1, NR1D2, NR1I3 MEN1 1169/4885KMT2A 2041/4885ESR2 394/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 MEN1 1169/4885KMT2A 2041/4885ESR2 394/4885

“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.