SCHEMBL25817244

SCHEMBL25817244

Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
GPR119 Q8TDV5 5/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
NAMPT P43490 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL25817141 0.81 CHRM4 (0.46) KDM4EMAPTTHRB
SCHEMBL26781066 0.80 CHRM4 (0.47) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL26780876 0.80 CHRM4 (0.47) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL1770366 0.80 KDM4E (0.52) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL19103521 0.80 KDM4E (0.52) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL30493274 0.80 KDM4E (0.52) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL25817287 0.79 MAPT (0.45) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL4832875 0.79 KDM4E (0.49) KDM4EMAPTTHRBGPR119HPGD
SCHEMBL3436365 0.79 GPR119 (0.58) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL19702760 0.78 MAPT (0.53) KDM4EMAPTTHRBGPR119PTPN2

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-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 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-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 KDM4E 1919/4885MAPT 3879/4885THRB 222/4885

“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.