SCHEMBL3387503

SCHEMBL3387503

c1coc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.43
ACHE P22303 4/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 3/20 0.37
HRH1 P35367 1/20 0.37
LTA4H P09960 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
SCHEMBL3386192 0.83 LMNA (0.43) HRH3ACHEHTR1ADRD2HTR2A
SCHEMBL3389754 0.82 ALDH1A1 (0.44) HTR1ADRD2HTR2ADRD1DRD4
SCHEMBL3388607 0.80 TLR9 (0.49) HRH3KCNH2HRH1LTA4H
SCHEMBL3389354 0.80 GRIN2D (0.47) HRH3HTR1ADRD2HTR2ADRD1
SCHEMBL3387524 0.80 GRIN2D (0.48) HRH3ACHEDRD2DRD4DRD3
SCHEMBL3389241 0.79 HRH3 (0.40) HRH3ACHEHRH1
SCHEMBL3384833 0.79 HRH3 (0.44) HRH3ACHEHTR1AHTR2ALTA4H
SCHEMBL3389303 0.79 GRIN2D (0.46) HRH3ACHEHTR1ADRD2HTR2A
SCHEMBL13652075 0.79 HRH3 (0.39) HRH3ACHEDRD2DRD1DRD5
SCHEMBL1039931 0.79 HRH3 (0.55) HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258861-A1 Tetrahydronaphthyridine Derivatives LUNN GRAHAM 2009-10-15 US claimed
US-7557121-B2 Tetrahydronaphthyridine derivatives PFIZER INC (US) 2009-07-07 US claimed
US-20050256135-A1 Tetrahydronaphthyridine derivatives LUNN GRAHAM 2005-11-17 US claimed
EP-1756104-B1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS PFIZER LTD (GB) 2010-12-15 EP disclosed
EP-1756104-B1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS PFIZER LTD (GB) 2010-12-15 EP disclosed
US-20090258861-A1 Tetrahydronaphthyridine Derivatives LUNN GRAHAM 2009-10-15 US disclosed
US-20090258861-A1 Tetrahydronaphthyridine Derivatives LUNN GRAHAM 2009-10-15 US disclosed
US-20090258861-A1 Tetrahydronaphthyridine Derivatives LUNN GRAHAM 2009-10-15 US disclosed
US-7557121-B2 Tetrahydronaphthyridine derivatives PFIZER INC (US) 2009-07-07 US disclosed
US-7557121-B2 Tetrahydronaphthyridine derivatives PFIZER INC (US) 2009-07-07 US disclosed
US-7557121-B2 Tetrahydronaphthyridine derivatives PFIZER INC (US) 2009-07-07 US disclosed
US-20050256135-A1 Tetrahydronaphthyridine derivatives LUNN GRAHAM 2005-11-17 US disclosed
EP-1595881-A1 Tetrahydronaphthyridine derivates useful as histamine H3 receptor ligands Pfizer Limited (GB) 2005-11-16 EP 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-20050256135-A1 Tetrahydronaphthyridine derivatives HRH4, HRH3, HRH1 HRH3 2/4885ACHE 1864/4885HTR1A 34/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 HRH3 2/4885ACHE 1864/4885HTR1A 34/4885

“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.