SCHEMBL6288255

SCHEMBL6288255

O=C(O)N1CCc2nc(COCCN3CCOCC3)ncc2C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.51
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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) HSP90AA1CYP11B2KDM4E
SCHEMBL5774933 0.77 HSP90AA1 (0.36) HSP90AA1KDM4EPOLBL3MBTL1HRH3
SCHEMBL30188618 0.77 HSP90AA1 (0.50) HSP90AA1KDM4EPOLBHRH3
SCHEMBL5777572 0.75 HSP90AA1 (0.41) HSP90AA1
SCHEMBL6282952 0.74 HSP90AA1 (0.40) HSP90AA1
SCHEMBL30405316 0.74 HSP90AA1 (0.42) HSP90AA1
SCHEMBL28907586 0.74 HSP90AA1 (0.42) HSP90AA1
SCHEMBL5776735 0.73 HSP90AA1 (0.43) HSP90AA1
SCHEMBL5774769 0.72 HSP90AA1 (0.43) HSP90AA1
SCHEMBL5777878 0.71 MAPT (0.58) HSP90AA1

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-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 HSP90AA1 1452/4885CYP11B2 26/4885KDM4E 2413/4885

“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.