SCHEMBL3389303

SCHEMBL3389303

c1ccc(N2CCc3nc(OCCCN4CCCCC4)ccc3C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
DRD3 P35462 4/20 0.46
HTR1A P08908 3/20 0.46
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
DRD4 P21917 2/20 0.46
HTR2C P28335 2/20 0.46
DRD2 P14416 3/20 0.45
HRH1 P35367 2/20 0.45
DRD1 P21728 2/20 0.45
ADRA2C P18825 1/20 0.45
DRD5 P21918 1/20 0.45
HTR3A P46098 2/20 0.44
HRH3 Q9Y5N1 2/20 0.43

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 0.99 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3387571 0.91 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3384766 0.88 HRH3 (0.41) HRH1HRH3ACHE
SCHEMBL3386229 0.88 HRH3 (0.41) HRH1HRH3ACHE
SCHEMBL3386192 0.87 LMNA (0.43) DRD3HTR1AHTR2ADRD2HRH1
SCHEMBL3388497 0.87 HRH3 (0.40) HRH1HRH3ACHE
SCHEMBL3388532 0.87 HRH3 (0.44) HRH1HRH3ACHE
SCHEMBL3384833 0.85 HRH3 (0.44) HTR1AHTR2AHRH3ACHE
SCHEMBL3389241 0.85 HRH3 (0.40) HRH1HRH3ACHE
SCHEMBL3389964 0.84 KCNH2 (0.43) HTR3AHRH3

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 GRIN2D 222/4885GRIN3B 131/4885GRIN1 54/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 GRIN2D 222/4885GRIN3B 131/4885GRIN1 54/4885

“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.