SCHEMBL3386222

SCHEMBL3386222

c1ccc2nc(N3CCc4nc(OCCCN5CCCC5)ccc4C3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
DRD2 P14416 1/20 0.48
HTR1A P08908 8/20 0.42
HTR3A P46098 6/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HTR3E A5X5Y0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR3B O95264 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
THPO P40225 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH1 P35367 2/20 0.41
HTR7 P34969 1/20 0.41
ACP1 P24666 1/20 0.40

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
SCHEMBL3386757 0.88 HRH3 (0.38) KMT2AMEN1MAPTDRD2HRH3
SCHEMBL3389354 0.85 GRIN2D (0.47) DRD2HTR1AHTR3AHRH3HRH1
SCHEMBL3389303 0.84 GRIN2D (0.46) DRD2HTR1AHTR3AHRH3HRH1
SCHEMBL3389964 0.83 KCNH2 (0.43) HTR3AHRH3HTR3EHTR3BALDH1A1
SCHEMBL3389947 0.82 HRH3 (0.42) KMT2AMEN1DRD2HTR1AHRH3
SCHEMBL3921537 0.81 BACE1 (0.42) DRD2HRH3HRH1ACP1
SCHEMBL3385314 0.81 HRH3 (0.42) HRH3KDM4EHRH1
SCHEMBL3385429 0.81 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL3386192 0.81 LMNA (0.43) MAPTDRD2HTR1AHRH3HRH1
SCHEMBL3386233 0.81 DRD2 (0.43) KMT2AMEN1DRD2HTR1AHRH3

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 7 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

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 KMT2A 705/4885MEN1 2391/4885MAPT 1644/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 KMT2A 705/4885MEN1 2391/4885MAPT 1644/4885

“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.