SCHEMBL5024569

SCHEMBL5024569

COCCN(C)c1ccc2c(N3CCCC3)cc(C)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 6/20 0.50
▸ NTSR1 P30989 7/20 0.47
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ MAPT P10636 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL5028584 0.79 NCF1 (0.65) NCF1ADRB2ADRB1MAPTBCHE
SCHEMBL5037445 0.78 NCF1 (0.53) NCF1ADRB2ADRB1MAPTHSD17B10
SCHEMBL27597792 0.78 NCF1 (0.53) NCF1ADRB2ADRB1MAPTBCHE
Hydrochloric Acid SCHEMBL5037491 0.77 NCF1 (0.52) NCF1ADRB2ADRB1MAPTHSD17B10
SCHEMBL5022698 0.76 NCF1 (0.54) NCF1ADRB2ADRB1MAPTUSP2
SCHEMBL5022706 0.76 NCF1 (0.51) NCF1ADRB2ADRB1
SCHEMBL5022742 0.75 NCF1 (0.48) NCF1ADRB2ADRB1BCHEACHE
SCHEMBL5024416 0.75 NCF1 (0.53) NCF1ADRB2ADRB1MAPTBCHE
SCHEMBL5518592 0.75 NCF1 (0.53) NCF1ADRB2ADRB1MAPTUSP2
SCHEMBL5524932 0.75 NCF1 (0.59) NCF1ADRB2ADRB1MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — 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 (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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R NCF1 1858/4885NTSR1 27/4885ADRB2 519/4885

“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.

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