SCHEMBL5397608

SCHEMBL5397608

CCOC(=O)c1ccc(-c2ccc3c(N4CCCC4)cc(C)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.48
SIRT1 Q96EB6 3/20 0.48
NCF1 P14598 2/20 0.48
METAP1 P53582 1/20 0.48
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 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
SCHEMBL5402270 0.91 NCF1 (0.48) SIRT2SIRT1NCF1METAP1TP53
SCHEMBL5406740 0.85 NCF1 (0.53) NCF1MAPTMEN1KMT2A
SCHEMBL5404498 0.84 NCF1 (0.55) NCF1MAPTMEN1KMT2A
SCHEMBL5405742 0.83 NCF1 (0.56) NCF1MAPTMEN1KMT2AALDH1A1
SCHEMBL5420552 0.82 NCF1 (0.50) NCF1KCNH2HRH3MAPTMEN1
SCHEMBL5397410 0.79 NCF1 (0.72) NCF1MAPTMEN1KMT2A
SCHEMBL7146306 0.78 NCF1 (0.53) NCF1MAPTMEN1KMT2A
SCHEMBL5405102 0.78 NCF1 (0.56) NCF1MAPTMEN1KMT2AALDH1A1
SCHEMBL5412918 0.78 MEN1 (0.57) NCF1KCNH2MAPTMEN1KMT2A
SCHEMBL5518457 0.78 NCF1 (0.62) NCF1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265125-B2 Neuropeptide Y antagonists HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050176698-A1 Neuropeptide Y antagonists BREU VOLKER (DE) 2005-08-11 US disclosed
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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 (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-20050176698-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R SIRT2 914/4885SIRT1 975/4885NCF1 1230/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R SIRT2 914/4885SIRT1 975/4885NCF1 1230/4885

“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.