SCHEMBL3431665

SCHEMBL3431665

N#Cc1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.46
HRH1 P35367 5/20 0.44
HRH2 P25021 4/20 0.44
SCN7A Q01118 1/20 0.43
TIPARP Q7Z3E1 1/20 0.39
CACNA1B Q00975 2/20 0.37
CACNA1H O95180 1/20 0.37
HTR7 P34969 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL13652075 0.91 HRH3 (0.39) HRH3HRH1HRH2SCN7AACHE
SCHEMBL3385475 0.85 DRD2 (0.47) HRH3HTR7
SCHEMBL3389254 0.85 TMEM97 (0.43) HRH3HTR7
SCHEMBL3386233 0.85 DRD2 (0.43) HRH3HRH1TIPARPHTR7ACHE
SCHEMBL3388534 0.83 TIPARP (0.41) HRH3TIPARPCACNA1BHTR7
SCHEMBL3389241 0.82 HRH3 (0.40) HRH3HRH1TIPARPACHE
SCHEMBL3434200 0.81 OPRM1 (0.48) HRH3
SCHEMBL3389354 0.81 GRIN2D (0.47) HRH3HRH1HTR7
SCHEMBL3384977 0.80 OPRM1 (0.47) HRH3
SCHEMBL3384833 0.80 HRH3 (0.44) HRH3ACHE

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 12 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-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 2/4885HRH1 3/4885HRH2 4/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 HRH3 2/4885HRH1 3/4885HRH2 4/4885

“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.