SCHEMBL803500

SCHEMBL803500

Cc1ncn2c1CN(C1CCC(N(C)C(=O)OC(C)(C)C)CC1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
KAT6A Q92794 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
JAK1 P23458 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA6 Q16445 2/20 0.32
HSD11B1 P28845 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SPR P35270 3/20 0.32
KDM4D Q6B0I6 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
PIK3R1 P27986 1/20 0.31

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
SCHEMBL785086 0.78 F10 (0.40) PIK3CDKAT6AKAT8JAK1JAK2
SCHEMBL190837 0.70 HSD11B1 (0.47) KAT6AKAT8JAK1JAK2JAK3
SCHEMBL132240 0.68 HSD11B1 (0.41) KAT6AKAT8HSD11B1PDE10ASPR
SCHEMBL15112036 0.67 L3MBTL1 (0.46) HSD11B1PDE10A
SCHEMBL26342397 0.67 L3MBTL1 (0.46) HSD11B1PDE10A
SCHEMBL15115726 0.67 L3MBTL1 (0.46) HSD11B1PDE10A
SCHEMBL31009886 0.67 SPR (0.37) PIK3CDKAT6AKAT8JAK1JAK2
SCHEMBL29340021 0.67 SPR (0.37) PIK3CDKAT6AKAT8JAK1JAK2
SCHEMBL785087 0.67 HSD11B1 (0.33) PIK3CDKAT6AKAT8HSD11B1PDE10A
SCHEMBL294166 0.66 HSD11B1 (0.42) PIK3CDKAT6AKAT8JAK1JAK2

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 PIK3CD 4174/4885KAT6A 2331/4885KAT8 1651/4885

“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.