SCHEMBL21896151

SCHEMBL21896151

CC(=O)Nc1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.57
MGLL Q99685 3/20 0.55
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 3/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 3/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL21821085 0.89 FAAH (0.56) FAAHMGLLALDH1A1KCNH2
SCHEMBL31168796 0.89 FAAH (0.56) FAAHMGLLALDH1A1KCNH2
SCHEMBL20570710 0.84 FAAH (0.57) FAAHMGLLCYP3A4CYP2D6TSHR
SCHEMBL30458549 0.84 FAAH (0.57) FAAHMGLLCYP3A4CYP2D6TSHR
SCHEMBL20567742 0.84 FAAH (0.78) FAAHMGLL
SCHEMBL30419949 0.84 FAAH (0.78) FAAHMGLL
SCHEMBL21821166 0.84 FAAH (0.58) FAAHMGLL
SCHEMBL30420407 0.83 FAAH (0.66) FAAHMGLL
SCHEMBL20566733 0.83 FAAH (0.66) FAAHMGLL
SCHEMBL25830533 0.83 FAAH (0.61) FAAHMGLLCYP3A4CYP2D6TSHR

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 3 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-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 4/4885CYP3A4 1289/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 FAAH 112/4885MGLL 4/4885CYP3A4 1289/4885

“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.