SCHEMBL22040162

SCHEMBL22040162

CCOC(=O)c1ncn(C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.45
ADORA3 P0DMS8 4/20 0.45
ADORA2A P29274 4/20 0.45
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCB11 O95342 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL6849824 0.86 MAPT (0.39) ADORA1ADORA3ADORA2AMAPTKDM4E
SCHEMBL6854520 0.84 MAPT (0.38) ADORA1ADORA3ADORA2AMAPTKDM4E
SCHEMBL7473914 0.84 KMT2A (0.39) ADORA1ADORA3ADORA2AMAPTKDM4E
SCHEMBL6855538 0.83 MAPT (0.37) ADORA1ADORA3ADORA2AMAPTKDM4E
SCHEMBL6855762 0.83 MAPT (0.37) ADORA1ADORA3ADORA2AMAPTKDM4E
SCHEMBL12410700 0.81 NOTUM (0.46) MAPTKDM4EL3MBTL1KMT2A
SCHEMBL6855298 0.81 NPSR1 (0.39) MAPTKDM4EPOLBTDP1L3MBTL1
SCHEMBL29111665 0.80 KMT2A (0.41) ADORA1ADORA3ADORA2AMAPTL3MBTL1
SCHEMBL9461194 0.78 JMJD6 (0.44) ADORA1ADORA3ADORA2AMAPTL3MBTL1
SCHEMBL12410998 0.77 MGLL (0.33) KDM4EPOLBTDP1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870581-B1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2023-06-14 EP disclosed
US-11591335-B2 Bicyclic pesticidal compounds BASF SE (DE) 2023-02-28 US disclosed
US-20210347777-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2021-11-11 US disclosed
US-20200165255-A1 Bicyclic Pesticidal Compounds BASF SE (DE) 2020-05-28 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-20200165255-A1 Bicyclic Pesticidal Compounds DDT, ACHE, CYCS ADORA1 1883/4885ADORA3 1395/4885ADORA2A 2526/4885
US-20210347777-A1 TRICYCLIC PESTICIDAL COMPOUNDS DDT, ACHE, PFAS ADORA1 2550/4885ADORA3 2511/4885ADORA2A 3661/4885
US-11591335-B2 Bicyclic pesticidal compounds DDT, ACHE, CYCS ADORA1 1883/4885ADORA3 1395/4885ADORA2A 2526/4885

“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.