SCHEMBL3386248

SCHEMBL3386248

CN(C)C(=O)c1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
ATM Q13315 8/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PRKDC P78527 1/20 0.36
PIK3CG P48736 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
SCHEMBL3386218 0.89 HRH3 (0.38) KCNH2ATMHRH3
SCHEMBL3385297 0.88 HRH3 (0.40) KCNH2ATMHRH3
SCHEMBL3385417 0.88 HTR1A (0.43) KCNH2ATMPIK3CG
SCHEMBL3388289 0.83 HRH3 (0.41) KCNH2ATMHRH3
SCHEMBL3389827 0.82 OPRM1 (0.39) KCNH2ATMHRH3PRKDC
SCHEMBL3385220 0.77 HRH3 (0.42) KCNH2HRH3
SCHEMBL3919717 0.77 HRH3 (0.42) KCNH2HRH3
SCHEMBL3384991 0.75 HRH3 (0.40) KCNH2HRH3
SCHEMBL1039931 0.74 HRH3 (0.55) HRH3
SCHEMBL3434200 0.74 OPRM1 (0.48) HRH3

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 12 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-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 KCNH2 374/4885ATM 2976/4885HRH3 2/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 KCNH2 374/4885ATM 2976/4885HRH3 2/4885

“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.