SCHEMBL29784348

SCHEMBL29784348

CC(C)(C)Cc1nc(-c2cccc(C(=O)O)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MGLL Q99685 1/20 0.54
MAOA P21397 1/20 0.52
BLVRB P30043 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
NR1H4 Q96RI1 1/20 0.49
TSHR P16473 3/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
MAPK1 P28482 2/20 0.46
NOTUM Q6P988 1/20 0.46
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL22442371 1.00 NPC1 (0.54) NPC1RAB9AL3MBTL1MGLLMAOA
SCHEMBL25299060 0.85 NPC1 (0.58) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL31362818 0.85 NPC1 (0.58) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL22442352 0.83 TSHR (0.59) NPC1RAB9AMGLLSMN1; SMN2HTT
SCHEMBL60213 0.83 L3MBTL1 (0.55) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL29800132 0.82 NPC1 (0.61) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL28953168 0.82 NPC1 (0.61) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL15471161 0.81 RAB9A (0.63) NPC1RAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL59281 0.81 ALDH1A1 (0.56) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60707 0.80 RAB9A (0.67) NPC1RAB9AL3MBTL1MAOABLVRB

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 NPC1 509/4885RAB9A 361/4885L3MBTL1 1570/4885

“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.