SCHEMBL21821045

SCHEMBL21821045

CC(=O)Nc1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4Cl)CC3C2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.53
MGLL Q99685 2/20 0.41
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL21821086 0.87 FAAH (0.64) FAAHMGLL
SCHEMBL21821149 0.87 FAAH (0.52) FAAHMGLLKDM4E
SCHEMBL21821066 0.85 FAAH (0.51) FAAHMGLL
SCHEMBL31168808 0.85 FAAH (0.51) FAAHMGLL
SCHEMBL31168802 0.79 FAAH (0.54) FAAHMGLLKDM4EALDH1A1
SCHEMBL21821165 0.79 FAAH (0.54) FAAHMGLLKDM4EALDH1A1
SCHEMBL21821097 0.79 FAAH (0.52) FAAHMGLL
SCHEMBL21896253 0.78 FAAH (0.49) FAAHMGLLSIGMAR1
SCHEMBL31168849 0.78 FAAH (0.49) FAAHMGLLSIGMAR1
SCHEMBL20556736 0.76

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
EP-3634404-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2024-11-20 EP disclosed
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
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
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 FAAH 112/4885MGLL 4/4885SIGMAR1 430/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 FAAH 112/4885MGLL 4/4885SIGMAR1 430/4885

“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.