SCHEMBL5777878

SCHEMBL5777878

CC(C)(C)OC(=O)N1CCc2nc(CN3CCOCC3)ncc2C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HSP90AA1 P07900 3/20 0.45
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTOR P42345 4/20 0.42
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
RECQL P46063 1/20 0.39
PDGFRB P09619 1/20 0.39
HSP90AB1 P08238 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
HSP90B1 P14625 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
SCHEMBL5774928 0.87 MAPT (0.53) MAPTHSP90AA1USP2SMN1; SMN2MTOR
SCHEMBL30805586 0.84 MAPT (0.63) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL21528039 0.84 MAPT (0.63) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL21528090 0.83 MAPT (0.62) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL1017921 0.82 MAPT (0.77) MAPTHSP90AA1USP2SMN1; SMN2MTOR
SCHEMBL18550268 0.78 MAPT (0.59) MAPTESR2NR1H2DDB1CRBN
SCHEMBL30790206 0.78 MAPT (0.57) MAPTHSP90AA1USP2SMN1; SMN2MTOR
SCHEMBL5774718 0.78 MAPT (0.57) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL4869824 0.78 MAPT (0.67) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL30378007 0.78 MAPT (0.67) MAPTHSP90AA1ESR2NR1H2DDB1

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-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 MAPT 4800/4885HSP90AA1 1452/4885USP2 3901/4885

“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.