SCHEMBL29936016

SCHEMBL29936016

Cc1cc2nc(C)c(C=O)n2cc1F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL29935633 0.75 ALDH1A1 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL29935597 0.74 CYP11B1 (0.43) ALDH1A1NPC1RAB9A
SCHEMBL21893553 0.73 ALDH1A1 (0.37) PDE10AALDH1A1NPC1RAB9A
SCHEMBL24654967 0.72 PDE10A (0.36) PDE10A
SCHEMBL16794728 0.72 ALDH1A1 (0.36) ALDH1A1NPC1RAB9A
SCHEMBL28615144 0.72 GAA (0.36) PDE10AALDH1A1NPC1RAB9A
SCHEMBL29935912 0.71 ALDH1A1 (0.33) ALDH1A1NPC1RAB9A
Potassium Ion SCHEMBL21818216 0.71 GAA (0.35) PDE10AALDH1A1NPC1RAB9A
SCHEMBL23531019 0.70 ALDH1A1 (0.56) ALDH1A1NPC1RAB9A
SCHEMBL15266482 0.69 ALDH1A1 (0.51) ALDH1A1NPC1RAB9A

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 PDE10A 594/4885ALDH1A1 312/4885NPC1 868/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH PDE10A 1367/4885ALDH1A1 587/4885NPC1 212/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 594/4885ALDH1A1 312/4885NPC1 868/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDE10A 594/4885ALDH1A1 312/4885NPC1 868/4885

“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.