SCHEMBL3389254

SCHEMBL3389254

Clc1ccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.43
SIGMAR1 Q99720 5/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
SLC6A4 P31645 3/20 0.41
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR7 P34969 3/20 0.41
AXL P30530 1/20 0.38
BACE1 P56817 1/20 0.38
P2RX3 P56373 1/20 0.38

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
SCHEMBL3385475 0.88 DRD2 (0.47) HRH3SLC6A4DRD2DRD4DRD3
SCHEMBL3386233 0.88 DRD2 (0.43) TMEM97SIGMAR1HRH3SLC6A4DRD2
SCHEMBL13652075 0.86 HRH3 (0.39) KCNH2HRH3DRD2DRD3
SCHEMBL3388534 0.85 TIPARP (0.41) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL3431665 0.85 HRH3 (0.46) HRH3HTR7
SCHEMBL3434200 0.84 OPRM1 (0.48) HRH3
SCHEMBL3389354 0.83 GRIN2D (0.47) KCNH2HRH3SLC6A4DRD2DRD4
SCHEMBL3384977 0.83 OPRM1 (0.47) HRH3
SCHEMBL3389303 0.82 GRIN2D (0.46) HRH3SLC6A4DRD2DRD4DRD3
SCHEMBL3389241 0.82 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 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 TMEM97 1296/4885SIGMAR1 355/4885KCNH2 374/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 TMEM97 1296/4885SIGMAR1 355/4885KCNH2 374/4885

“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.