SCHEMBL5402270

SCHEMBL5402270

CCOC(=O)c1cccc(-c2ccc3c(N4CCCC4)cc(C)nc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
METAP1 P53582 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5397608 0.91 SIRT2 (0.48) NCF1SIRT2SIRT1METAP1TP53
SCHEMBL5404474 0.81 NCF1 (0.52) NCF1TP53KDM4ENPC1RAB9A
SCHEMBL5401526 0.79 NCF1 (0.58) NCF1LMNAKDM4ESMN1; SMN2
SCHEMBL5397410 0.79 NCF1 (0.72) NCF1LMNAKDM4ESMN1; SMN2
SCHEMBL5406740 0.78 NCF1 (0.53) NCF1LMNA
SCHEMBL5405742 0.78 NCF1 (0.56) NCF1LMNAKDM4ESMN1; SMN2
SCHEMBL5401181 0.78 NCF1 (0.74) NCF1METAP1LMNAKDM4ESMN1; SMN2
SCHEMBL5412027 0.77 NCF1 (0.55) NCF1LMNAKDM4E
SCHEMBL5404498 0.77 NCF1 (0.55) NCF1
SCHEMBL5404454 0.77 MEN1 (0.52) NCF1TP53KDM4ENPC1

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 NCF1 1230/4885SIRT2 914/4885SIRT1 975/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885SIRT2 914/4885SIRT1 975/4885

“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.