SCHEMBL29935571

SCHEMBL29935571

COc1cccc2c(C=O)cnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
TLR2 O60603 1/20 0.37
ERN1 O75460 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PDE4B Q07343 6/20 0.33
ALDH1A1 P00352 4/20 0.33
IMPDH2 P12268 1/20 0.33
FGFR1 P11362 1/20 0.33
PDE3A Q14432 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SRC P12931 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL31596040 0.78 DRD2 (0.37) DRD2DRD4DRD3ERN1ALDH1A1
SCHEMBL29935937 0.78 PIK3CA (0.41) DRD2DRD4DRD3ERN1ALDH1A1
SCHEMBL3216869 0.75 PDE4B (0.47) TLR2ERN1TLR1TLR6CA1
SCHEMBL9279114 0.74 KDM4E (0.44) CA1CA2PDE4BALDH1A1TDP1
SCHEMBL3616229 0.73 PDE4B (0.43) PDE4BALDH1A1L3MBTL1LMNACYP1A2
SCHEMBL24656166 0.72 PDE4B (0.39) CA1CA2PDE4BPDE3AL3MBTL1
SCHEMBL24656780 0.72 PDE4B (0.34) CA2PDE4BPDE3A
SCHEMBL30505931 0.72 TLR8 (0.41)
SCHEMBL31596205 0.72 DRD2 (0.34) DRD2DRD4DRD3ERN1ALDH1A1
SCHEMBL18816905 0.69 RAB9A (0.53) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP DRD2 955/4885DRD4 1861/4885DRD3 1018/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH DRD2 497/4885DRD4 1036/4885DRD3 295/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP DRD2 955/4885DRD4 1861/4885DRD3 1018/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP DRD2 955/4885DRD4 1861/4885DRD3 1018/4885

“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.