SCHEMBL20897436

SCHEMBL20897436

O=C(O)c1ccc(OCc2cccc(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.82
RXRA P19793 3/20 0.61
RXRB P28702 3/20 0.61
RXRG P48443 3/20 0.61
NR4A2 P43354 1/20 0.60
MGLL Q99685 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
MITF O75030 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL22480994 0.90 MRGPRX4 (1.00) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL79709 0.87 RXRA (0.72) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL20897473 0.87 MRGPRX4 (0.83) MRGPRX4RXRARXRBRXRGMGLL
SCHEMBL698500 0.83 MRGPRX4 (0.80) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL22480553 0.81 MRGPRX4 (1.00) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL22480959 0.81 MRGPRX4 (0.78) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL20898187 0.81 MRGPRX4 (0.81) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL22480756 0.80 MRGPRX4 (1.00) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL10323581 0.80 RXRA (0.61) MRGPRX4RXRARXRBRXRGNPC1
SCHEMBL22480526 0.79 MRGPRX4 (1.00) MRGPRX4MEN1NPC1MITFTP53

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 5 patents. 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
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO 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 (2 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 MRGPRX4 85/4885RXRA 4515/4885RXRB 4498/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG MRGPRX4 85/4885RXRA 4515/4885RXRB 4498/4885

“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.