SCHEMBL6500205

SCHEMBL6500205

O=C1N=C(NC23CC4CC(CC2C4)C3)SC1CC(=O)N1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 15/20 0.46
DPP8 Q6V1X1 14/20 0.46
GLMN Q92990 3/20 0.46
CNR2 P34972 2/20 0.42
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD11B1 P28845 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
SCHEMBL6510576 0.93 DPP4 (0.52) DPP9DPP8GLMNCNR2DPP4
SCHEMBL6498258 0.83 TSHR (0.46) CNR2DPP4ALDH1A1HSD11B1
SCHEMBL6507760 0.83 TSHR (0.46) CNR2DPP4ALDH1A1HSD11B1
SCHEMBL6500416 0.80 EPHX2 (0.37) DPP4ALDH1A1
SCHEMBL6506039 0.80 MAPT (0.36) CNR2DPP4ALDH1A1
SCHEMBL6428167 0.77 HSP90AA1 (0.39) DPP9DPP8GLMNALDH1A1
SCHEMBL6502963 0.77 DPP9 (0.37) DPP9DPP8GLMNALDH1A1
SCHEMBL6426530 0.75 P2RX7 (0.35) CNR2
SCHEMBL6507694 0.74 ALDH1A1 (0.46) DPP9DPP8DPP4ALDH1A1
SCHEMBL6427319 0.74 CNR2 (0.50) CNR2ALDH1A1HSD11B1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 DPP9 1066/4885DPP8 1825/4885GLMN 4833/4885

“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.