SCHEMBL21821183

SCHEMBL21821183

CC(=O)Nc1ccn(C(=O)N2CC3CN(Cc4cc(F)cc(Cl)c4)CC3C2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.55
MGLL Q99685 3/20 0.45
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL31168801 1.00 FAAH (0.55) FAAHMGLLHDAC3HDAC4HDAC1
SCHEMBL21821080 0.88 FAAH (0.72) FAAHMGLL
SCHEMBL31168831 0.88 FAAH (0.72) FAAHMGLL
SCHEMBL21821097 0.87 FAAH (0.52) FAAHMGLLHDAC3HDAC4HDAC1
SCHEMBL21821066 0.86 FAAH (0.51) FAAHMGLLHDAC3HDAC4HDAC1
SCHEMBL31168808 0.86 FAAH (0.51) FAAHMGLLHDAC3HDAC4HDAC1
SCHEMBL20571365 0.86 FAAH (0.59) FAAHMGLLHDAC3HDAC4HDAC1
SCHEMBL25830019 0.86 FAAH (0.65) FAAHMGLL
SCHEMBL24970507 0.85 FAAH (0.59) FAAHMGLL
SCHEMBL21896253 0.84 FAAH (0.49) FAAHMGLLHDAC3HDAC4HDAC1

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 4 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-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 4/4885HDAC3 1414/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 FAAH 112/4885MGLL 4/4885HDAC3 1414/4885

“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.