SCHEMBL20570570

SCHEMBL20570570

O=C(O)C1(Oc2cc(Cl)ccc2CN2CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.48
DDR1 Q08345 5/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
IP6K1 Q92551 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SOS1 Q07889 1/20 0.38
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL30457753 1.00 MGLL (0.48) MGLLDDR1CYP1A2CHRM2SLC6A4
SCHEMBL20151866 0.86 MGLL (0.48) MGLLCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL20158182 0.83 MGLL (0.69) MGLLPTGDR2
Hydrochloric Acid SCHEMBL20137119 0.82 MGLL (0.68) MGLLAPOBEC3ACTDSP1APOBEC3GPTGDR2
Hydrochloric Acid SCHEMBL29561176 0.82 MGLL (0.68) MGLLAPOBEC3ACTDSP1APOBEC3GPTGDR2
SCHEMBL30459413 0.81 MGLL (0.55) MGLLDDR1DRD2DRD4
SCHEMBL20570500 0.81 MGLL (0.55) MGLLDDR1DRD2DRD4
SCHEMBL20151856 0.80 MGLL (0.61) MGLLKDM4EALDH1A1PTGDR2
Hydrochloric Acid SCHEMBL29561336 0.79 MGLL (0.60) MGLLKDM4EALDH1A1PTGDR2
Hydrochloric Acid SCHEMBL20137011 0.79 MGLL (0.60) MGLLKDM4EALDH1A1PTGDR2

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 9 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-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
EP-3634404-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-15 EP disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 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
WO-2018217809-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 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-11149037-B2 Pyrazole MAGL inhibitors MAGI3, MAG, PYM1 MGLL 4/4885DDR1 4815/4885CYP1A2 1040/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 MGLL 4/4885DDR1 4815/4885CYP1A2 1040/4885

“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.