SCHEMBL3384826

SCHEMBL3384826

FC(F)(F)c1cccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
DRD3 P35462 6/20 0.43
OPRM1 P35372 4/20 0.43
TIPARP Q7Z3E1 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
HTR1A P08908 4/20 0.38
HTR2A P28223 3/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HRH1 P35367 1/20 0.37
ACHE P22303 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL3385360 0.90 DRD3 (0.43) DRD2DRD3TIPARPHRH3HTR1A
SCHEMBL3389964 0.85 KCNH2 (0.43) HRH3PDCD1CD274
SCHEMBL3389947 0.84 HRH3 (0.42) DRD2DRD3HRH3HTR1AHTR2A
SCHEMBL3385314 0.83 HRH3 (0.42) TIPARPHRH3HRH1
SCHEMBL3385429 0.83 HRH3 (0.46) HRH3
SCHEMBL3389354 0.83 GRIN2D (0.47) DRD2DRD3HRH3HTR1AHTR2A
SCHEMBL3388534 0.83 TIPARP (0.41) DRD2DRD3TIPARPHRH3DRD4
SCHEMBL3432523 0.83 HRH3 (0.41) DRD2HRH3PDCD1CD274HRH1
SCHEMBL3389303 0.82 GRIN2D (0.46) DRD2DRD3HRH3HTR1AHTR2A
SCHEMBL3389318 0.82 BACE1 (0.42) DRD2DRD3TIPARPHRH3HTR1A

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 DRD2 169/4885DRD3 237/4885OPRM1 244/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 DRD2 169/4885DRD3 237/4885OPRM1 244/4885

“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.