SCHEMBL3390108

SCHEMBL3390108

c1ccc(CN2CCc3nc(OCCCN4CCCC4)ccc3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 1/20 0.49
APP P05067 1/20 0.47
HRH1 P35367 3/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
DHFR P00374 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL3384809 0.91 HRH3 (0.61) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL1039931 0.81 HRH3 (0.55) HRH3HRH1
SCHEMBL4766452 0.80 MEN1 (0.57) MEN1NPC1RAB9AKMT2AFFAR1
SCHEMBL1038122 0.79 HRH3 (0.49) HRH3FFAR1
SCHEMBL3386192 0.79 LMNA (0.43) HRH3HRH1DRD2DRD1DRD3
SCHEMBL3389354 0.78 GRIN2D (0.47) HRH3HRH1DRD2DRD1DRD4
SCHEMBL3389303 0.78 GRIN2D (0.46) HRH3HRH1DRD2DRD1DRD4
SCHEMBL2907874 0.77 KMT2A (0.54) MEN1NPC1RAB9AKMT2AFFAR1
SCHEMBL3057524 0.77 MEN1 (0.54) MEN1NPC1RAB9AKMT2AFFAR1
SCHEMBL5777961 0.76 SIGMAR1 (0.51) HRH3MEN1NPC1RAB9AKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2/4885MEN1 2391/4885NPC1 1444/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 HRH3 2/4885MEN1 2391/4885NPC1 1444/4885

“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.