SCHEMBL29784276

SCHEMBL29784276

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Cl)cc3c(=O)[nH]2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.65
HRH4 Q9H3N8 1/20 0.65
MGLL Q99685 15/20 0.59
HCRTR1 O43613 2/20 0.54
HCRTR2 O43614 2/20 0.54
NAMPT P43490 1/20 0.51
KCNH2 Q12809 1/20 0.46

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
SCHEMBL20897546 1.00 HTR3A (0.65) HTR3AHRH4MGLLHCRTR1HCRTR2
SCHEMBL26170030 0.88 NAMPT (0.51) HTR3AHRH4MGLLNAMPTKCNH2
SCHEMBL20897590 0.88 MGLL (0.54) HTR3AHRH4MGLLHCRTR1HCRTR2
SCHEMBL20897769 0.85 HTR3A (0.62) HTR3AMGLL
SCHEMBL22442389 0.84 HTR3A (0.73) HTR3AHRH4MGLLHCRTR1HCRTR2
SCHEMBL1777998 0.84 NAMPT (0.55) HTR3AHRH4NAMPTKCNH2
SCHEMBL25220184 0.81 KCNH2 (0.50) MGLLNAMPTKCNH2
SCHEMBL29784222 0.81 MGLL (0.53) MGLLHCRTR1HCRTR2NAMPTKCNH2
SCHEMBL20898197 0.81 MGLL (0.53) MGLLHCRTR1HCRTR2NAMPTKCNH2
SCHEMBL20897501 0.80 MGLL (0.54) HTR3AMGLLNAMPT

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG HTR3A 2659/4885HRH4 1302/4885MGLL 10/4885

“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.