SCHEMBL988263

SCHEMBL988263

C=CCC1NCCc2nc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 6/20 0.34
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA7 P36544 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL13671474 1.00 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1038290 0.81 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31569446 0.75 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL31569405 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13671841 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12879167 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12892534 0.69 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL6065276 0.68 PRCP (0.59) KDM4EALDH1A1
SCHEMBL12878929 0.67 OPRM1 (0.42) ALDH1A1
SCHEMBL23484563 0.64 HTR2A (0.30)

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 CHRNB2 221/4885CHRNA4 18/4885CHRNB4 139/4885

“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.