SCHEMBL407852

SCHEMBL407852

COC(=O)[C@@H]1CCC(c2nnc(C)o2)CN1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
BTK Q06187 1/20 0.34
HSD11B1 P28845 1/20 0.33
ADCY1 Q08828 2/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
CCR5 P51681 1/20 0.31
CHEK2 O96017 1/20 0.31
ATM Q13315 1/20 0.30
ATR Q13535 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
SCHEMBL408038 1.00 PKM (0.35) PKMBTKHSD11B1ADCY1DPP4
SCHEMBL441026 0.79 PKM (0.39) PKMBTKHSD11B1ADCY1CCR5
SCHEMBL408403 0.79 PKM (0.39) PKMBTKHSD11B1ADCY1CCR5
SCHEMBL463714 0.74 LIPE (0.33) ATM
SCHEMBL408912 0.74 LIPE (0.33) ATM
SCHEMBL408945 0.74 LIPE (0.33) ATM
SCHEMBL406761 0.73 PKM (0.40) PKMBTKHSD11B1ADCY1DPP4
SCHEMBL407223 0.73 CHRNB2 (0.33) HSD11B1DPP4DPP8DPP7
SCHEMBL8226321 0.70
SCHEMBL835926 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT PKM 1657/4885BTK 4727/4885HSD11B1 560/4885

“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.