SCHEMBL987357

SCHEMBL987357

CN1CCc2nc(OC3CCNCC3)ncc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.47
IRAK4 Q9NWZ3 1/20 0.37
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CYP2C9 P11712 1/20 0.34
MELK Q14680 1/20 0.34
KDR P35968 1/20 0.33
ROCK2 O75116 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HSP90B1 P14625 2/20 0.32
IKBKB O14920 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32

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
SCHEMBL987864 0.83 HSP90AA1 (0.50) HSP90AA1HRH3
SCHEMBL12706723 0.77 HSP90AA1 (0.47) HSP90AA1CYP2C19CYP2C9HSP90B1
SCHEMBL21965918 0.75 CRBN (0.47) HSP90AA1
SCHEMBL8222559 0.74 HSP90AA1 (0.50) HSP90AA1CYP2C19CYP2C9HSP90B1
SCHEMBL17623870 0.74 HSP90AA1 (0.48) HSP90AA1TRPV1
SCHEMBL24920554 0.72 LMNA (0.50) HSP90AA1CYP2C19
SCHEMBL12706719 0.69 HSP90AA1 (0.46) HSP90AA1CYP2C19CYP2C9HSP90B1
SCHEMBL18563804 0.68 CHRNA7 (0.51) CYP2C19HRH3CYP2C9
SCHEMBL17151559 0.68 IRAK4 (0.41) IRAK4ROCK2JAK2JAK1TYK2
SCHEMBL13501681 0.68 CYP2C19 (0.51) CYP2C19CYP2C9KDR

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
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 4158/4885IRAK4 3002/4885CYP2C19 1310/4885

“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.