SCHEMBL23211894

SCHEMBL23211894

O=C(O)N1CC(N2Cc3cccc(Cl)c3C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 1/20 0.41
NAMPT P43490 4/20 0.40
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 1/20 0.37
NOTUM Q6P988 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CPT2 P23786 2/20 0.35
CPT1A P50416 2/20 0.35
CPT1B Q92523 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL21381773 0.86 NAMPT (0.41) TRAP1NAMPTAKR1C3AKR1C2AKR1C1
SCHEMBL21381634 0.81 NAMPT (0.46) NAMPTLMNA
SCHEMBL30149803 0.81 NAMPT (0.46) NAMPTLMNA
SCHEMBL3469584 0.80 TRAP1 (0.53) TRAP1NAMPTAKR1C3AKR1C2AKR1C1
Hydrochloric Acid SCHEMBL3469905 0.79 TRAP1 (0.52) TRAP1NAMPTAKR1C3AKR1C2AKR1C1
SCHEMBL26962955 0.74 NOTUM (0.39) TRAP1NOTUM
Hydrochloric Acid SCHEMBL21381957 0.73 CYP1A2 (0.41) TRAP1NAMPTCYP1A2TSHRADRA2A
SCHEMBL13082466 0.73 CYP2D6 (0.51) TRAP1AKR1C3AKR1C2AKR1C1NOTUM
SCHEMBL21381843 0.71 STS (0.53) NAMPTALDH1A1LMNAHTT
SCHEMBL30149762 0.71 STS (0.53) NAMPTALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 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 (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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC TRAP1 3514/4885NAMPT 2207/4885AKR1C3 1762/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC TRAP1 3514/4885NAMPT 2207/4885AKR1C3 1762/4885

“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.