SCHEMBL3385349

SCHEMBL3385349

CNC(=O)c1ccc(N2CCc3nc(OC4CCN(C(C)C)CC4)ccc3C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
ACACB O00763 2/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 1/20 0.39
KDR P35968 1/20 0.38
PARP1 P09874 4/20 0.38
CSF1R P07333 1/20 0.38
FLT3 P36888 1/20 0.38
DRD3 P35462 1/20 0.37
PIK3CG P48736 1/20 0.37
PARP6 Q2NL67 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 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
SCHEMBL3384823 0.91 HRH3 (0.44) HRH3ACACBPIK3CDPIK3CAPIK3CB
SCHEMBL4563453 0.90 KDR (0.39) HRH3ACACBKDRDRD3
SCHEMBL3930338 0.90 HRH3 (0.54) HRH3ACACBPIK3CDPIK3CAPIK3CB
SCHEMBL3387535 0.84 HRH3 (0.40) HRH3ACACBPIK3CDPIK3CAPIK3CB
SCHEMBL3386245 0.83 HRH3 (0.56) HRH3
SCHEMBL4421814 0.81 KDR (0.39) HRH3ACACBPIK3CDPIK3CAKDR
SCHEMBL5210165 0.78 HRH3 (0.59) HRH3PARP1PARP6PARP2PARP3
SCHEMBL118339 0.78 HRH3 (0.54) HRH3
SCHEMBL3385417 0.76 HTR1A (0.43) PARP1PIK3CGPARP6PARP2PARP3
SCHEMBL3384991 0.76 HRH3 (0.40) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010098265-A1 POLYMERIC MICELLE CONTAINING PROTEASOME INHIBITOR 国立大学法人 東京大学 (JP) 2010-09-02 WO 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 HRH3 2/4885ACACB 4320/4885PIK3CD 3693/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 HRH3 2/4885ACACB 4320/4885PIK3CD 3693/4885

“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.