SCHEMBL3386192

SCHEMBL3386192

c1cnc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 7/20 0.43
DRD2 P14416 2/20 0.43
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
HRH1 P35367 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL3389354 0.88 GRIN2D (0.47) HRH3DRD2HTR1ADRD1HTR2A
SCHEMBL3389303 0.87 GRIN2D (0.46) HRH3DRD2HTR1ADRD1HTR2A
SCHEMBL3389754 0.85 ALDH1A1 (0.44) DRD2HTR1ADRD1HTR2ADRD3
SCHEMBL3921129 0.85 CYP2D6 (0.46) HRH3DRD2HTR1AHTR2A
SCHEMBL3388497 0.84 HRH3 (0.40) HRH3HRH1ACHE
SCHEMBL3386757 0.84 HRH3 (0.38) MAPTHRH3DRD2HRH1ACHE
SCHEMBL3386240 0.84 DRD2 (0.44) HRH3DRD2DRD3
SCHEMBL3384766 0.83 HRH3 (0.41) HRH3HRH1ACHE
SCHEMBL3386229 0.83 HRH3 (0.41) HRH3HRH1ACHE
SCHEMBL3387503 0.83 HRH3 (0.43) HRH3DRD2HTR1ADRD1HTR2A

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 11 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-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 LMNA 3049/4885TP53 4508/4885MAPT 1644/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 LMNA 3049/4885TP53 4508/4885MAPT 1644/4885

“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.