SCHEMBL21821065

SCHEMBL21821065

CC(c1ccc(Cl)c(Br)c1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.45
CYP3A5 P20815 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TBK1 Q9UHD2 7/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
STS P08842 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL21821055 0.85 MAPT (0.48) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL26199223 0.83 ALDH1A1 (0.51) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL28327837 0.83 ALDH1A1 (0.51) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL28329046 0.81 MBTD1 (0.48) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL16759086 0.80 CYP3A4 (0.49) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL17007678 0.79 CYP3A4 (0.53) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL3837657 0.78 HTT (0.51) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL21399850 0.78 ALDH1A1 (0.51) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL660699 0.78 HTT (0.51) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL3837654 0.78 HTT (0.51) NPC1ALDH1A1MAPTMAPK1HTT

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
EP-3634404-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2024-11-20 EP disclosed
CN-110678177-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-06-13 CN disclosed
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 US disclosed
CN-110678177-A Pyrazole MAGL inhibitors 隆德贝克拉荷亚研究中心有限公司 2020-01-10 CN 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-11149037-B2 Pyrazole MAGL inhibitors MAGI3, MAG, PYM1 NPC1 944/4885ALDH1A1 4019/4885MAPT 943/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 NPC1 944/4885ALDH1A1 4019/4885MAPT 943/4885

“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.