SCHEMBL20897567

SCHEMBL20897567

N#Cc1cc(C(=O)O)ccc1OCc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.64
NR4A2 P43354 1/20 0.63
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
RXRG P48443 1/20 0.61
XDH P47989 2/20 0.57
MGLL Q99685 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL5026568 0.87 XDH (0.71) MRGPRX4NR4A2XDHALDH1A1HPGD
SCHEMBL20897512 0.87 MRGPRX4 (0.63) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL28583625 0.86 XDH (0.80) MRGPRX4XDH
SCHEMBL6211864 0.84 MRGPRX4 (0.62) MRGPRX4ALDH1A1
SCHEMBL698500 0.83 MRGPRX4 (0.80) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL366522 0.82 MRGPRX4 (0.56) MRGPRX4MGLLALDH1A1
SCHEMBL21585885 0.82 MAOB (0.65) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL20898187 0.81 MRGPRX4 (0.81) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL28575362 0.80 XDH (0.81) XDH
SCHEMBL20897436 0.78 MRGPRX4 (0.82) MRGPRX4NR4A2RXRARXRBRXRG

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 85/4885NR4A2 4745/4885RXRA 4515/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG MRGPRX4 85/4885NR4A2 4745/4885RXRA 4515/4885

“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.