SCHEMBL5404474

SCHEMBL5404474

CCOc1cccc(-c2ccc3c(N4CCCC4)cc(C)nc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.52
MAP4K4 O95819 1/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPY5R Q15761 1/20 0.42
FGFR2 P21802 2/20 0.42
FGFR3 P22607 2/20 0.42
FGFR1 P11362 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
MGLL Q99685 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5412027 0.87 NCF1 (0.55) NCF1MAPTMEN1KMT2AALDH1A1
SCHEMBL5033185 0.87 NCF1 (0.57) NCF1MAPTMEN1KMT2AHTT
SCHEMBL5402141 0.83 NCF1 (0.51) NCF1MAPTHTTNPY5RADRB2
SCHEMBL5397410 0.82 NCF1 (0.72) NCF1MAPTMEN1KMT2AHTT
SCHEMBL5402270 0.81 NCF1 (0.48) NCF1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL5401181 0.81 NCF1 (0.74) NCF1MAPTMEN1KMT2AHTT
SCHEMBL5405573 0.81 NCF1 (0.62) NCF1MAPTHTTNPY5RADRB2
SCHEMBL5406751 0.80 NCF1 (0.58) NCF1MAPTMEN1KMT2AHTT
SCHEMBL5401526 0.80 NCF1 (0.58) NCF1MAPTMEN1KMT2AHTT
SCHEMBL5397556 0.80 NCF1 (0.58) NCF1MAP4K4MAPTMEN1KMT2A

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 1230/4885MAP4K4 1494/4885MAPT 4262/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885MAP4K4 1494/4885MAPT 4262/4885

“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.