SCHEMBL2189176

SCHEMBL2189176

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ STS P08842 3/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.42
▸ ESR2 Q92731 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ BUB1 O43683 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ VEGFA P15692 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ TGM3 Q08188 1/20 0.39
▸ POLB P06746 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
SCHEMBL2187569 0.91 MEN1 (0.46) MEN1KMT2ASTSUSP30GPR119
SCHEMBL30623425 0.91 MEN1 (0.46) MEN1KMT2ASTSUSP30GPR119
SCHEMBL2758243 0.87 GPR119 (0.44) KMT2AUSP30GPR119ESR2HDAC1
SCHEMBL23594972 0.86 USP30 (0.42) USP30GPR119ESR2HDAC1HDAC8
SCHEMBL30676645 0.86 USP30 (0.42) USP30GPR119ESR2HDAC1HDAC8
SCHEMBL29506183 0.85 MEN1 (0.46) MEN1KMT2ASTSUSP30GPR119
SCHEMBL21856129 0.85 MEN1 (0.46) MEN1KMT2ASTSUSP30GPR119
SCHEMBL17205567 0.84 USP30 (0.48) MEN1KMT2ASTSUSP30GPR119
SCHEMBL1221984 0.83 HRH3 (0.51) USP30GPR119HDAC1HDAC8HDAC6
SCHEMBL29562510 0.83 HRH3 (0.51) USP30GPR119HDAC1HDAC8HDAC6

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 8 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
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — 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 2041/4885STS 1246/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 MEN1 1169/4885KMT2A 2041/4885STS 1246/4885

“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.

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