SCHEMBL1040247

SCHEMBL1040247

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 3/20 0.40
OGFRL1 Q5TC84 3/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
HPGDS O60760 1/20 0.40
GCK P35557 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IGF1R P08069 1/20 0.37
PDE4B Q07343 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1041751 1.00 MAPT (0.43) MAPTESR2NR1H2GPR119HRH3
SCHEMBL1041147 0.98 MAPT (0.43) MAPTESR2NR1H2GPR119HRH3
SCHEMBL1040454 0.98 MAPT (0.43) MAPTESR2NR1H2GPR119HRH3
SCHEMBL1040245 0.94 HRH3 (0.46) MAPTESR2NR1H2GPR119HRH3
SCHEMBL1041601 0.93 HRH3 (0.48) MAPTESR2NR1H2GPR119HRH3
SCHEMBL1034826 0.86 HRH3 (0.38) HRH3MEN1KMT2A
SCHEMBL1040533 0.86 HRH3 (0.38) HRH3MEN1KMT2A
SCHEMBL1038323 0.84 HRH3 (0.38) HRH3
SCHEMBL1041332 0.84 HRH3 (0.38) HRH3
SCHEMBL3233867 0.82 HRH3 (0.42) 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 5 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
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
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 MAPT 2721/4885ESR2 1777/4885NR1H2 549/4885

“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.