SCHEMBL3387492

SCHEMBL3387492

CNC(=O)c1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
OPRM1 P35372 6/20 0.39
OPRD1 P41143 6/20 0.39
OPRK1 P41145 5/20 0.38
MET P08581 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
FFAR1 O14842 1/20 0.37
SCN9A Q15858 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3434200 0.88 OPRM1 (0.48) HRH3OPRM1OPRD1OPRK1
SCHEMBL3389827 0.88 OPRM1 (0.39) HRH3OPRM1OPRD1OPRK1EGLN1
SCHEMBL3384977 0.88 OPRM1 (0.47) HRH3OPRM1OPRD1OPRK1
SCHEMBL3386217 0.87 HRH3 (0.41) HRH3EGLN1KCNH2
SCHEMBL3385401 0.87 HRH3 (0.41) HRH3EGLN1KCNH2
SCHEMBL3385475 0.83 DRD2 (0.47) HRH3HTR1ADRD2HTR2A
SCHEMBL3385417 0.82 HTR1A (0.43) HTR1ADRD2HTR2AFFAR1KCNH2
SCHEMBL3386233 0.81 DRD2 (0.43) HRH3HTR1ADRD2HTR2A
SCHEMBL3389254 0.81 TMEM97 (0.43) HRH3HTR1ADRD2HTR2AKCNH2
SCHEMBL13652075 0.80 HRH3 (0.39) HRH3DRD2KCNH2

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 8 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
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 2/4885OPRM1 244/4885OPRD1 134/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 HRH3 2/4885OPRM1 244/4885OPRD1 134/4885

“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.