SCHEMBL3389905

SCHEMBL3389905

COc1ccnc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.42
EHMT1 Q9H9B1 3/20 0.42
HRH3 Q9Y5N1 7/20 0.41
SLC6A4 P31645 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 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
SCHEMBL3390083 0.91 HRH3 (0.45) HRH3ACHE
SCHEMBL3387524 0.88 GRIN2D (0.48) EHMT2EHMT1HRH3KDM4EALDH1A1
SCHEMBL3388275 0.86 HRH3 (0.39) EHMT2EHMT1HRH3ACHE
SCHEMBL3386811 0.85 ELOVL1 (0.42) EHMT2EHMT1HRH3ACHE
SCHEMBL3389318 0.84 BACE1 (0.42) HRH3KDM4EACHE
SCHEMBL3389354 0.83 GRIN2D (0.47) HRH3SLC6A4
SCHEMBL3389947 0.82 HRH3 (0.42) HRH3ALDH1A1KMT2A
SCHEMBL3389303 0.82 GRIN2D (0.46) HRH3SLC6A4ACHE
SCHEMBL3384833 0.82 HRH3 (0.44) HRH3ACHE
SCHEMBL3388532 0.81 HRH3 (0.44) HRH3ACHE

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 4 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

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 EHMT2 261/4885EHMT1 195/4885HRH3 2/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 EHMT2 261/4885EHMT1 195/4885HRH3 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.