SCHEMBL25487258

SCHEMBL25487258

COC(=O)c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
FAAH O00519 1/20 0.45
NR1H2 P55055 1/20 0.44
CYP2C19 P33261 2/20 0.44
GLS O94925 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.43
TBK1 Q9UHD2 2/20 0.43
TP53 P04637 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
SCHEMBL29943231 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ENPSR1IDO1TDO2
SCHEMBL23301852 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ENPSR1IDO1TDO2
SCHEMBL25487261 0.88 IDO1 (0.45) ALDH1A1KDM4ENPSR1IDO1TDO2
SCHEMBL29190915 0.88 FAAH (0.47) ALDH1A1KDM4ENPSR1IDO1TDO2
SCHEMBL20567000 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ENPSR1IDO1TDO2
SCHEMBL28662739 0.85 FAAH (0.49) ALDH1A1KDM4ENPSR1VEGFAEGLN1
SCHEMBL25978382 0.85 VEGFA (0.47) ALDH1A1KDM4ENPSR1IDO1TDO2
SCHEMBL20567152 0.84 FAAH (0.48) ALDH1A1KDM4ENPSR1IDO1TDO2
SCHEMBL7238782 0.82 IDO1 (0.48) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL18087154 0.82 LMNA (0.56) ALDH1A1KDM4EIDO1TDO2IDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219897-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2023-07-13 US disclosed
US-11655217-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2023-05-23 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 (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-20230219897-A1 PYRAZOLE MAGL INHIBITORS MGLL, PNLIP, LPL ALDH1A1 2448/4885KDM4E 3347/4885NPSR1 3931/4885
US-11655217-B2 Pyrazole MAGL inhibitors MGLL, PNLIP, LPL ALDH1A1 2260/4885KDM4E 2927/4885NPSR1 4063/4885

“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.