SCHEMBL987864

SCHEMBL987864

CN1CCc2nc(OC3CCN(C4CCC4)CC3)ncc2C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.50
HRH3 Q9Y5N1 16/20 0.40
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 3/20 0.36
ADRA1A P35348 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
SCHEMBL987357 0.83 HSP90AA1 (0.47) HSP90AA1HRH3
SCHEMBL1038550 0.81 HRH3 (0.44) HRH3CYP2D6KCNH2ADRA1A
SCHEMBL1032754 0.79 HRH3 (0.44) HRH3CYP2D6KCNH2ADRA1A
SCHEMBL13671837 0.78 HRH3 (0.39) HSP90AA1HRH3CYP2D6KCNH2ADRA1A
SCHEMBL1038688 0.77 MAPT (0.43) HRH3CYP2D6
SCHEMBL12706723 0.75 HSP90AA1 (0.47) HSP90AA1
SCHEMBL1040052 0.74 TIPARP (0.40) HRH3CYP2D6KCNH2
SCHEMBL1037702 0.74 TIPARP (0.40) HRH3CYP2D6KCNH2
SCHEMBL13671672 0.73 CYP2C19 (0.38) HSP90AA1HRH3CYP2D6KCNH2
SCHEMBL987661 0.73 HSP90AA1 (0.47) HSP90AA1HRH3CYP2D6

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 claimed
EP-2268638-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-01-05 EP claimed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 WO claimed
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-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 HSP90AA1 4158/4885HRH3 2/4885CYP2D6 809/4885

“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.