SCHEMBL988477

SCHEMBL988477

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.41
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
DRD3 P35462 1/20 0.38
HSP90AA1 P07900 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL1041527 0.98 HRH3 (0.40) HRH3KCNH2CYP2D6TMEM97SIGMAR1
SCHEMBL1038323 0.94 HRH3 (0.38) HRH3KCNH2CYP2D6TMEM97SIGMAR1
SCHEMBL1041332 0.94 HRH3 (0.38) HRH3KCNH2CYP2D6TMEM97SIGMAR1
SCHEMBL1040533 0.92 HRH3 (0.38) HRH3KCNH2TMEM97SIGMAR1GABRG2
SCHEMBL1034826 0.92 HRH3 (0.38) HRH3KCNH2TMEM97SIGMAR1GABRG2
SCHEMBL3238202 0.90 HRH3 (0.44) HRH3KCNH2CYP2D6GABRG2GABRB3
SCHEMBL3233919 0.89 GABRG2 (0.46) HRH3KCNH2GABRG2GABRB3GABRA5
SCHEMBL3242068 0.89 GABRG2 (0.48) HRH3KCNH2GABRG2GABRB3GABRA5
SCHEMBL3233882 0.89 HRH3 (0.52) HRH3KCNH2MEN1KMT2A
SCHEMBL3233867 0.89 HRH3 (0.42) HRH3CYP2D6DRD3

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 3 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
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 HRH3 2/4885KCNH2 871/4885CYP2D6 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.