SCHEMBL21821171

SCHEMBL21821171

O=C1CC2CN(C(=O)O)C[C@@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
HSD11B1 P28845 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
SCHEMBL3398592 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL2745077 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6108063 0.86 HSD11B1 (0.33) CHRNA7HSD11B1
SCHEMBL6108057 0.86 HSD11B1 (0.33) CHRNA7HSD11B1
SCHEMBL6106104 0.86 HSD11B1 (0.33) HSD11B1
SCHEMBL6106107 0.86 HSD11B1 (0.33) HSD11B1
SCHEMBL6106105 0.86 HSD11B1 (0.33) HSD11B1
SCHEMBL1425838 0.80 NR1H2 (0.31) POLB
SCHEMBL23933653 0.79 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL2744190 0.79 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 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-11149037-B2 Pyrazole MAGL inhibitors MAGI3, MAG, PYM1 CHRNB2 3791/4885CHRNB4 4010/4885CHRNA3 2748/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 CHRNB2 3791/4885CHRNB4 4010/4885CHRNA3 2748/4885

“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.