SCHEMBL23015484

SCHEMBL23015484

CC(C)(C)OC(=O)c1ccn(C(=O)Oc2ccc(N)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ELANE P08246 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
MAPK14 Q16539 1/20 0.34
NR1H2 P55055 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL20566659 0.83 MAPT (0.43) ALDH1A1KMT2ACYP1A2CYP2D6NR1H4
SCHEMBL7421479 0.82 GABRG2 (0.40) KMT2AGABRG2GABRB3GABRA5NPC1
SCHEMBL28074789 0.78 SCN4A (0.38) ALDH1A1GABRG2GABRB3GABRA5MAPT
SCHEMBL22263387 0.77 GABRG2 (0.36) ALDH1A1KMT2AGABRG2GABRB3GABRA5
SCHEMBL22190961 0.76 HPGDS (0.39) ALDH1A1ELANEGABRG2GABRB3GABRA5
SCHEMBL1421920 0.75 NOS1 (0.47) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL24969825 0.72 KMT2A (0.36) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL27610277 0.71 TSHR (0.49) ALDH1A1KMT2AGABRG2GABRB3GABRA5
SCHEMBL16709634 0.70 KEAP1 (0.49) KMT2ANR1H2NPC1RAB9AL3MBTL1
SCHEMBL28788197 0.70 KMT2A (0.37) ALDH1A1KMT2AELANEF2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927105-B1 Pyrazole MAGL inhibitors LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2021-02-23 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 (1 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-10927105-B1 Pyrazole MAGL inhibitors MGLL, PNLIP, LPL ALDH1A1 2448/4885KMT2A 3777/4885CYP1A2 335/4885

“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.