SCHEMBL3389947

SCHEMBL3389947

COc1cccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2C P28335 1/20 0.41
AXL P30530 1/20 0.41
BACE1 P56817 1/20 0.41
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR4 Q13639 1/20 0.39

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
SCHEMBL3389964 0.89 KCNH2 (0.43) HRH3ALDH1A1CYP2D6
SCHEMBL3385360 0.87 DRD3 (0.43) HRH3HTR1AHTR2ADRD3DRD2
SCHEMBL3386811 0.87 ELOVL1 (0.42) HRH3
SCHEMBL3385429 0.87 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL3432523 0.86 HRH3 (0.41) HRH3AXLBACE1DRD2ALDH1A1
SCHEMBL3385314 0.85 HRH3 (0.42) HRH3AXLBACE1CYP2D6
SCHEMBL3389354 0.85 GRIN2D (0.47) HRH3HTR1AHTR2ADRD3HTR2C
SCHEMBL3384826 0.84 DRD2 (0.43) HRH3HTR1AHTR2ADRD3HTR2C
SCHEMBL3389303 0.84 GRIN2D (0.46) HRH3HTR1AHTR2ADRD3HTR2C
SCHEMBL3388497 0.83 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 5 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
WO-2010098351-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND 武田薬品工業株式会社 (JP) 2010-09-02 WO 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 2/4885HTR1A 34/4885HTR2A 149/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 HRH3 2/4885HTR1A 34/4885HTR2A 149/4885

“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.