SCHEMBL1041601

SCHEMBL1041601

CC(C)(C)OC(=O)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
GPR119 Q8TDV5 5/20 0.45
ESR2 Q92731 1/20 0.44
MAPT P10636 2/20 0.44
NR1H2 P55055 1/20 0.43
OPRM1 P35372 3/20 0.41
OGFRL1 Q5TC84 3/20 0.41
OPRD1 P41143 2/20 0.41
HPGDS O60760 1/20 0.41
OPRK1 P41145 2/20 0.39
DRD3 P35462 1/20 0.39
CYP2D6 P10635 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KDM1A O60341 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
SCHEMBL1040245 0.98 HRH3 (0.46) HRH3GPR119ESR2MAPTNR1H2
SCHEMBL1041147 0.94 MAPT (0.43) HRH3GPR119ESR2MAPTNR1H2
SCHEMBL1040454 0.94 MAPT (0.43) HRH3GPR119ESR2MAPTNR1H2
SCHEMBL1040247 0.93 MAPT (0.43) HRH3GPR119ESR2MAPTNR1H2
SCHEMBL1041751 0.93 MAPT (0.43) HRH3GPR119ESR2MAPTNR1H2
SCHEMBL3233867 0.89 HRH3 (0.42) HRH3DRD3CYP2D6
SCHEMBL3238202 0.87 HRH3 (0.44) HRH3DRD3CYP2D6
SCHEMBL988477 0.86 HRH3 (0.41) HRH3DRD3CYP2D6
SCHEMBL3236882 0.86 DRD3 (0.42) HRH3DRD3CYP2D6
SCHEMBL3237639 0.84 GABRG2 (0.46) HRH3DRD3CYP2D6

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 8 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
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-2010026113-A1 ACYL- AND SUFONYL TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-03-11 WO disclosed
WO-2010026113-A1 ACYL- AND SUFONYL TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-03-11 WO 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 HRH3 2/4885GPR119 462/4885ESR2 1777/4885

“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.