SCHEMBL4039087

SCHEMBL4039087

Cc1noc(-c2ccc(Br)c(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
AOC3 Q16853 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
PDK2 Q15119 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA4 P43681 1/20 0.44
BCHE P06276 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
S1PR1 P21453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY2R P49146 1/20 0.39
LRRK2 Q5S007 1/20 0.39
RARA P10276 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
SCHEMBL12112410 0.85 ACHE (0.54) ACHETP53MAPTLMNATHRB
SCHEMBL6498095 0.83 ACHE (0.56) ACHETP53MAPTLMNATHRB
SCHEMBL12586444 0.81 ACHE (0.54) ACHETP53MAPTLMNATHRB
SCHEMBL20437900 0.80 ACHE (0.49) ACHETP53MAPTLMNATHRB
SCHEMBL355437 0.80 CHRNB2 (0.45) TP53MAPTLMNACHRNB2CHRNA5
SCHEMBL1233610 0.79 ACHE (0.56) ACHETP53MAPTLMNATHRB
SCHEMBL30955217 0.79 ACHE (0.60) ACHETP53MAPTLMNATHRB
SCHEMBL27436300 0.79 ACHE (0.60) ACHETP53MAPTLMNATHRB
SCHEMBL31227099 0.78 RARB (0.60) ACHETP53MAPTLMNATHRB
SCHEMBL3858388 0.78 ACHE (0.69) ACHETP53MAPTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US disclosed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP disclosed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
EP-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
US-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands BAILEY JAMES M 2006-11-02 US disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 WO disclosed
EP-1646620-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 WO disclosed
WO-2005014571-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-02-17 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 (3 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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT ACHE 72/4885TP53 4824/4885MAPT 120/4885
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 ACHE 354/4885TP53 4758/4885MAPT 591/4885
US-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands HRH3, HRH4, HRH1 ACHE 740/4885TP53 4716/4885MAPT 575/4885

“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.