SCHEMBL1039931

SCHEMBL1039931

CN1CCc2nc(OCCCN3CCCC3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.55
SLC6A4 P31645 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH1 P35367 1/20 0.43

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
SCHEMBL3386192 0.82 LMNA (0.43) HRH3HRH1
SCHEMBL1038122 0.82 HRH3 (0.49) HRH3
SCHEMBL3390108 0.81 HRH3 (0.61) HRH3HRH1
SCHEMBL3389964 0.80 KCNH2 (0.43) HRH3CYP2D6CYP2C19
SCHEMBL3388289 0.80 HRH3 (0.41) HRH3CYP2D6CYP2C19HRH1
SCHEMBL3385475 0.80 DRD2 (0.47) HRH3SLC6A4CYP2D6CYP2C19
SCHEMBL3389354 0.79 GRIN2D (0.47) HRH3SLC6A4HRH1
SCHEMBL3389947 0.79 HRH3 (0.42) HRH3CYP2D6
SCHEMBL3387524 0.79 GRIN2D (0.48) HRH3
SCHEMBL3921129 0.79 CYP2D6 (0.46) HRH3CYP2D6CYP2C19

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 9 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
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 2/4885SLC6A4 1156/4885CYP2D6 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.