SCHEMBL1034826

SCHEMBL1034826

O=C(O)N1CCc2nc(O[C@H]3CCN(C4CCCC4)C3)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
HSP90AA1 P07900 3/20 0.37
KCNH2 Q12809 2/20 0.36
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL1040533 1.00 HRH3 (0.38) HRH3HSP90AA1KCNH2GABRG2GABRB3
SCHEMBL1038323 0.98 HRH3 (0.38) HRH3HSP90AA1KCNH2GABRG2GABRB3
SCHEMBL1041332 0.98 HRH3 (0.38) HRH3HSP90AA1KCNH2GABRG2GABRB3
SCHEMBL1041527 0.94 HRH3 (0.40) HRH3HSP90AA1KCNH2TMEM97SIGMAR1
SCHEMBL988477 0.92 HRH3 (0.41) HRH3HSP90AA1KCNH2GABRG2GABRB3
SCHEMBL1040247 0.86 MAPT (0.43) HRH3MEN1KMT2A
SCHEMBL1041751 0.86 MAPT (0.43) HRH3MEN1KMT2A
SCHEMBL1041147 0.84 MAPT (0.43) HRH3GABRG2GABRB3GABRA5DRD3
SCHEMBL1040454 0.84 MAPT (0.43) HRH3GABRG2GABRB3GABRA5DRD3
SCHEMBL987242 0.83 TIPARP (0.40) HRH3HSP90AA1DRD3TIPARP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US disclosed
EP-2268638-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-01-05 EP disclosed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 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 (1 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-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 HRH3 2/4885HSP90AA1 4158/4885KCNH2 871/4885

“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.