SCHEMBL25839429

SCHEMBL25839429

COC(=O)C1CC(=NO)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
TP53 P04637 1/20 0.36
F2 P00734 3/20 0.35
F10 P00742 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL11791130 0.84 BRD4 (0.40) BRD4KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL11792080 0.81 SMN1; SMN2 (0.39) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19409482 0.79 MAPK1 (0.38) KMT2A
SCHEMBL23647010 0.76 BRD4 (0.40) BRD4KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL872959 0.75
SCHEMBL9957179 0.73
SCHEMBL23753960 0.72 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL10712733 0.72
SCHEMBL21562864 0.71 ALDH1A1 (0.54) BRD4KMT2ASMN1; SMN2
SCHEMBL536252 0.71 BRD4 (0.50) BRD4KMT2ACHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
CN-117343002-A Synthesis method of beta-cyanoalkyl pyridine compound 西南医科大学 2024-01-05 CN disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
US-20230331686-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
US-11708359-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-07-25 US disclosed
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-07-20 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 (6 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-11708359-B2 Monoacylglycerol lipase modulators MGLL, LPL, LIPC BRD4 1259/4885KMT2A 1098/4885CHRNB2 211/4885
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LIPC BRD4 1259/4885KMT2A 1098/4885CHRNB2 211/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 BRD4 3044/4885KMT2A 2146/4885CHRNB2 124/4885
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPAR1, LPL BRD4 3213/4885KMT2A 1464/4885CHRNB2 112/4885
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators MGLL, LPL, PNLIP BRD4 1473/4885KMT2A 1164/4885CHRNB2 198/4885
US-20230331686-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, DAGLB, FAAH BRD4 1596/4885KMT2A 1551/4885CHRNB2 41/4885

“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.