SCHEMBL785087

SCHEMBL785087

CN1C=C2C(=O)N(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)CN2C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
KDM4D Q6B0I6 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PIK3CD O00329 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
BUB1 O43683 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL3450435 0.80 TP53 (0.36)
SCHEMBL190837 0.71 HSD11B1 (0.47) HSD11B1KDM4DPDE10AKAT6AKAT8
SCHEMBL3448280 0.70 KMT2A (0.46)
SCHEMBL15112036 0.70 L3MBTL1 (0.46) HSD11B1PDE10ABUB1AAK1
SCHEMBL26342397 0.70 L3MBTL1 (0.46) HSD11B1PDE10ABUB1AAK1
SCHEMBL15115726 0.70 L3MBTL1 (0.46) HSD11B1PDE10ABUB1AAK1
SCHEMBL3450969 0.70 FAAH (0.34)
SCHEMBL3449704 0.68 CALCRL (0.37)
SCHEMBL132146 0.67 HSD11B1 (0.42) HSD11B1KDM4DPDE10AKAT6AKAT8
SCHEMBL4162004 0.67 HSD11B1 (0.43) HSD11B1KDM4DPDE10A

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 2 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-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 HSD11B1 4053/4885KDM4D 1153/4885PDE10A 589/4885

“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.