SCHEMBL30155294

SCHEMBL30155294

CC(C)(C)OC(=O)N1CCC2(CN(C(=O)OCc3ccccc3)CCO2)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MGLL Q99685 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RORC P51449 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL30869854 0.87 MEN1 (0.52) MEN1KMT2ANPSR1MGLLHTT
SCHEMBL2821181 0.86 MEN1 (0.54) MEN1KMT2ANPSR1MGLLKDM4E
SCHEMBL28568843 0.81 MEN1 (0.47) MEN1KMT2ANPSR1HTTRORC
SCHEMBL30759652 0.80 MEN1 (0.46) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL30155468 0.78 MEN1 (0.50) MEN1KMT2ANPSR1MGLLKDM4E
SCHEMBL15399354 0.77 MEN1 (0.59) MEN1KMT2ANPSR1MGLLKDM4E
SCHEMBL15958476 0.77 MEN1 (0.59) MEN1KMT2ANPSR1MGLLKDM4E
SCHEMBL15958479 0.77 MEN1 (0.59) MEN1KMT2ANPSR1MGLLKDM4E
SCHEMBL31579558 0.77 YAP1 (0.48) MEN1KMT2ANPSR1MGLLKDM4E
SCHEMBL15000930 0.77 MEN1 (0.46) MEN1KMT2ANPSR1MAPTHTT

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
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2024-09-26 US disclosed
EP-4359081-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN Novartis AG (CH) 2024-05-01 EP disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO 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-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN KRAS, NRAS, APC MEN1 1128/4885KMT2A 3143/4885NPSR1 4753/4885

“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.