SCHEMBL21821063

SCHEMBL21821063

CC(=O)Nc1ccn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.54
MGLL Q99685 3/20 0.51
KCNH2 Q12809 3/20 0.46
CACNA1B Q00975 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
S1PR1 P21453 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL31168789 1.00 FAAH (0.54) FAAHMGLLKCNH2CACNA1BKDM4E
SCHEMBL31168796 0.88 FAAH (0.56) FAAHMGLLKCNH2KDM4EALDH1A1
SCHEMBL21821085 0.88 FAAH (0.56) FAAHMGLLKCNH2KDM4EALDH1A1
SCHEMBL21821080 0.88 FAAH (0.72) FAAHMGLL
SCHEMBL31168831 0.88 FAAH (0.72) FAAHMGLL
SCHEMBL21896229 0.88 FAAH (0.53) FAAHMGLLKCNH2CACNA1BS1PR1
SCHEMBL31168761 0.87 FAAH (0.52) FAAHMGLL
SCHEMBL21821157 0.87 FAAH (0.52) FAAHMGLL
SCHEMBL25829873 0.86 FAAH (0.64) FAAHMGLLCACNA1BS1PR1GRK5
SCHEMBL21821165 0.85 FAAH (0.54) FAAHMGLLKDM4EALDH1A1KDM4C

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 4/4885KCNH2 1092/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 FAAH 112/4885MGLL 4/4885KCNH2 1092/4885

“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.