SCHEMBL5033897

SCHEMBL5033897

Nc1nccc(CCc2ccccn2)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ABCB1 P08183 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIN28A Q9H9Z2 1/20 0.38

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
SCHEMBL9539943 0.84 L3MBTL1 (0.50) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL5218648 0.79 MAOA (0.45) MAOAMAOBABCB1HTR1ADRD2
SCHEMBL27498217 0.77 HRH1 (0.49) HRH1CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL29485678 0.77 HRH1 (0.73) HRH1CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL230753 0.77 HRH1 (0.73) HRH1CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL11327558 0.77 HRH1 (0.57) HRH1CYP1A2CYP2D6HRH3ALDH1A1
Bromide SCHEMBL28641396 0.74 HRH1 (0.70) HRH1CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL6632917 0.74 LOXL2 (0.55) HRH1CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL6492743 0.73 HRH1 (0.49) HRH1CYP1A2CYP2D6HRH3ALDH1A1
SCHEMBL6212530 0.73 HRH1 (0.49) HRH1CYP1A2CYP2D6

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-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP disclosed
US-7138399-B2 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2006-11-21 US disclosed
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2005-08-04 US disclosed
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 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-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved NOS2, PNP, PTGIS HRH1 429/4885CYP1A2 69/4885CYP2D6 444/4885

“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.