SCHEMBL29935679

SCHEMBL29935679

COc1c(C=O)ccnc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAOA P21397 1/20 0.44
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
MCL1 Q07820 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PRKDC P78527 1/20 0.36
ERN1 O75460 6/20 0.36
SRC P12931 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34

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
SCHEMBL7399409 1.00 CA1 (0.46) CA1CA2MAOACCR1CCR5
SCHEMBL16238352 0.82 CCR1 (0.38) CA1CA2MAOACCR1CCR5
SCHEMBL1534512 0.81 CA1 (0.46) CA1CA2CCR1CCR5CCR8
SCHEMBL29953744 0.81 CA1 (0.46) CA1CA2CCR1CCR5CCR8
SCHEMBL1534375 0.81 CA1 (0.46) CA1CA2MAOACCR1CCR5
SCHEMBL1461253 0.79 TRIM24 (0.48) CA1CA2CCR1CCR5CCR8
SCHEMBL29955862 0.79 CA1 (0.44) CA1CA2CCR1CCR5CCR8
SCHEMBL4796219 0.75 CCR1 (0.54) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL16060477 0.75 ALDH1A1 (0.44) CA1CA2CCR1CCR5CCR8
SCHEMBL29729025 0.74 CA1 (0.59) CA1CA2MCL1PRKDCERN1

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
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
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 CA1 4396/4885CA2 4029/4885MAOA 135/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CA1 2762/4885CA2 2217/4885MAOA 182/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA1 4396/4885CA2 4029/4885MAOA 135/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA1 4396/4885CA2 4029/4885MAOA 135/4885

“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.