SCHEMBL2518017

SCHEMBL2518017

CN1CCC(CCCOc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)c(-c3ccccc3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.40
MAOB P27338 5/20 0.40
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 8/20 0.37
ADORA1 P30542 7/20 0.37
ADORA2A P29274 6/20 0.37
ADORA2B P29275 6/20 0.37
ADORA3 P0DMS8 5/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
MET P08581 1/20 0.37
ROCK1 Q13464 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
SCHEMBL602776 0.92 HRH4 (0.44) MAOAMAOBBCHEACHEHRH4
SCHEMBL602774 0.91 HRH4 (0.46) MAOAMAOBBCHEACHEHRH4
SCHEMBL602507 0.86 HRH4 (0.38) HRH4HRH3MET
SCHEMBL604488 0.86 JAK2 (0.41) HRH4HRH3ADORA1ADORA2AROCK1
SCHEMBL605671 0.81 HRH4 (0.42) BCHEACHEHRH4HRH3DRD3
SCHEMBL605373 0.80 HRH4 (0.39) HRH4HRH3MET
SCHEMBL2165213 0.80 EP300 (0.42) MAOBHRH4
SCHEMBL601537 0.79 HRH4 (0.60) HRH4HRH3ADORA1ADORA2AADORA2B
SCHEMBL605187 0.79 HRH4 (0.44) HRH4HRH3MET
SCHEMBL604458 0.76 HRH4 (0.42) HRH4HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039498-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-10-18 US disclosed
US-20070265250-A1 Imidazole compounds BUZARD DANIEL J 2007-11-15 US 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-20070265250-A1 Imidazole compounds HRH4, HRH3, HRH2 MAOA 2584/4885MAOB 2041/4885BCHE 3177/4885

“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.