SCHEMBL13802461

SCHEMBL13802461

O=C(O)c1cccc(OCc2cccc(Cl)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 1.00
MAOA P21397 1/20 0.77
MAOB P27338 1/20 0.77
RXRA P19793 2/20 0.76
RXRB P28702 2/20 0.76
RXRG P48443 2/20 0.76
MRGPRX4 Q96LA9 9/20 0.72
NR4A1 P22736 1/20 0.67
NR4A3 Q92570 1/20 0.67

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
SCHEMBL29784229 1.00 NR4A2 (1.00) NR4A2MAOAMAOBRXRARXRB
SCHEMBL4406160 0.89 NR4A2 (0.87) NR4A2MRGPRX4
SCHEMBL8694329 0.87 MAOB (1.00) NR4A2MAOAMAOBRXRARXRB
SCHEMBL15452539 0.87 NR4A2 (0.77) NR4A2MAOAMAOBRXRARXRB
SCHEMBL9586293 0.87 NR4A2 (0.77) NR4A2MAOAMAOBRXRARXRB
SCHEMBL29784197 0.87 RXRA (1.00) NR4A2MAOAMAOBRXRARXRB
SCHEMBL7052037 0.87 NR4A2 (1.00) NR4A2MAOAMAOBRXRARXRB
SCHEMBL6522344 0.87 RXRA (1.00) NR4A2MAOAMAOBRXRARXRB
SCHEMBL1122713 0.86 NR4A2 (0.94) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL339009 0.86 NR4A2 (1.00) NR4A2MAOBMRGPRX4NR4A1NR4A3

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
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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 (3 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 NR4A2 4745/4885MAOA 583/4885MAOB 237/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG NR4A2 4745/4885MAOA 583/4885MAOB 237/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 NR4A2 2634/4885MAOA 97/4885MAOB 99/4885

“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.