SCHEMBL3389964

SCHEMBL3389964

Cc1cccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 8/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 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
SCHEMBL3389947 0.89 HRH3 (0.42) HRH3ALDH1A1CYP2D6
SCHEMBL3385429 0.88 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL3432523 0.87 HRH3 (0.41) HRH3ALDH1A1CYP2D6CYP2C19PDCD1
SCHEMBL3385314 0.86 HRH3 (0.42) HRH3CYP2D6
SCHEMBL3389354 0.85 GRIN2D (0.47) KCNH2HRH3HTR3A
SCHEMBL3384826 0.85 DRD2 (0.43) HRH3PDCD1CD274
SCHEMBL3389303 0.84 GRIN2D (0.46) HRH3HTR3A
SCHEMBL3385360 0.84 DRD3 (0.43) HRH3PDCD1CD274
SCHEMBL3388497 0.84 HRH3 (0.40) HRH3
SCHEMBL3385475 0.84 DRD2 (0.47) HRH3ALDH1A1CYP2D6CYP2C19

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 KCNH2 374/4885HRH3 2/4885ALDH1A1 538/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 KCNH2 374/4885HRH3 2/4885ALDH1A1 538/4885

“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.