SCHEMBL3388534

SCHEMBL3388534

FC(F)(F)c1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 4/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TLR9 Q9NR96 1/20 0.38
SCN9A Q15858 2/20 0.38
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.37
HTR7 P34969 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL3386233 0.87 DRD2 (0.43) TIPARPDRD2DRD1DRD3HRH3
SCHEMBL3389318 0.86 BACE1 (0.42) TIPARPDRD2DRD1DRD3KCNH2
SCHEMBL3385475 0.85 DRD2 (0.47) DRD2DRD1DRD3HRH3DRD4
SCHEMBL3389254 0.85 TMEM97 (0.43) DRD2DRD3KCNH2HRH3DRD4
SCHEMBL13652075 0.83 HRH3 (0.39) DRD2DRD1DRD3KCNH2HRH3
SCHEMBL3384826 0.83 DRD2 (0.43) TIPARPDRD2DRD3HRH3DRD4
SCHEMBL3431665 0.83 HRH3 (0.46) TIPARPHRH3HTR7CACNA1B
SCHEMBL3385360 0.82 DRD3 (0.43) TIPARPDRD2DRD3HRH3
SCHEMBL3434200 0.81 OPRM1 (0.48) HRH3
SCHEMBL3389354 0.81 GRIN2D (0.47) DRD2DRD1DRD3KCNH2HRH3

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 7 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
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-20050256135-A1 Tetrahydronaphthyridine derivatives LUNN GRAHAM 2005-11-17 US 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 TIPARP 859/4885DRD2 169/4885DRD1 234/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 TIPARP 859/4885DRD2 169/4885DRD1 234/4885

“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.