SCHEMBL3384833

SCHEMBL3384833

c1cnc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.44
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40
AXL P30530 1/20 0.38
BACE1 P56817 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
ACHE P22303 2/20 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
SCHEMBL3388532 0.99 HRH3 (0.44) HRH3LTA4HPTGS2ACHE
SCHEMBL3389354 0.86 GRIN2D (0.47) HRH3HTR1AHTR2A
SCHEMBL3389303 0.85 GRIN2D (0.46) HRH3HTR1AHTR2AACHE
SCHEMBL3389241 0.85 HRH3 (0.40) HRH3ACHE
SCHEMBL3387524 0.84 GRIN2D (0.48) HRH3ACHE
SCHEMBL3921930 0.84 HRH3 (0.42) HRH3
SCHEMBL3389982 0.84 HRH3 (0.42) HRH3
SCHEMBL3387528 0.84 HRH3 (0.42) HRH3
SCHEMBL3386192 0.83 LMNA (0.43) HRH3HTR1AHTR2AACHE
SCHEMBL3386233 0.82 DRD2 (0.43) HRH3HTR1AHTR2AACHE

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-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
EP-1756104-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS Pfizer Limited (GB) 2007-02-28 EP disclosed
WO-2005111036-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS PFIZER LIMITED (GB) 2005-11-24 WO 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 2/4885LTA4H 138/4885PTGS2 820/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 HRH3 2/4885LTA4H 138/4885PTGS2 820/4885

“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.