SCHEMBL21821085

SCHEMBL21821085

CC(=O)Nc1ccn(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.56
PHGDH O43175 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4C Q9H3R0 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KCNH2 Q12809 1/20 0.50
MGLL Q99685 2/20 0.48
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL31168796 1.00 FAAH (0.56) FAAHPHGDHKDM4EALDH1A1KDM4C
SCHEMBL21896151 0.89 FAAH (0.57) FAAHALDH1A1KCNH2MGLL
SCHEMBL21821063 0.88 FAAH (0.54) FAAHKDM4EALDH1A1KDM4CTDP1
SCHEMBL31168789 0.88 FAAH (0.54) FAAHKDM4EALDH1A1KDM4CTDP1
SCHEMBL21821090 0.86 FAAH (0.52) FAAHMGLL
SCHEMBL31168763 0.86 FAAH (0.52) FAAHMGLL
SCHEMBL20503526 0.84 MGLL (0.49) FAAHKDM4EALDH1A1KDM4CTDP1
SCHEMBL21821070 0.81 FAAH (0.47) FAAHPHGDHMGLL
SCHEMBL20503714 0.81 FAAH (0.46) FAAHMGLL
SCHEMBL20503500 0.81 FAAH (0.72) FAAHMGLL

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 112/4885PHGDH 1286/4885KDM4E 3708/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 FAAH 112/4885PHGDH 1286/4885KDM4E 3708/4885

“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.