SCHEMBL5403893

SCHEMBL5403893

Cc1cc(N2CCOCC2)c2c(-c3cccc(Cl)c3)cccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.54
STK4 Q13043 3/20 0.51
STK3 Q13188 3/20 0.51
LRRK2 Q5S007 2/20 0.51
LMNA P02545 1/20 0.46
CNR2 P34972 1/20 0.46
HSD17B10 Q99714 1/20 0.45
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL5397624 0.90 NCF1 (0.50) NCF1STK4STK3LRRK2LMNA
SCHEMBL5412099 0.88 NCF1 (0.52) NCF1STK4STK3LRRK2LMNA
SCHEMBL5403902 0.77 NCF1 (0.63) NCF1HSD17B10TSHRHPGDNPSR1
SCHEMBL5411141 0.72 KDM4E (0.55) NCF1HSD17B10HPGDMAPTKDM4E
SCHEMBL5093588 0.71 NCF1 (1.00) NCF1LMNAHSD17B10TSHRHPGD
SCHEMBL5403922 0.69 NCF1 (0.58) NCF1LMNATSHRNPSR1MAPT
SCHEMBL5397556 0.69 NCF1 (0.58) NCF1LMNAHSD17B10TSHRNPSR1
SCHEMBL31301835 0.69 STK4 (0.66) STK4STK3LRRK2LMNACNR2
SCHEMBL5405771 0.68 NCF1 (0.60) NCF1LMNAHSD17B10TSHRNPSR1
SCHEMBL16854251 0.67 LRRK2 (1.00) STK4STK3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US claimed
US-7265125-B2 Neuropeptide Y antagonists HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
CN-1274676-C Quinoline and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN 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
CN-1444563-A Quinoline and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2003-09-24 CN 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 1230/4885STK4 750/4885STK3 1200/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885STK4 750/4885STK3 1200/4885

“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.