SCHEMBL5258368

SCHEMBL5258368

Cc1cc(OCCCN2CCCCC2)ccc1-c1cn2c(n1)CC(C)CC2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.59
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5258199 0.88 HRH3 (0.44) HRH3KDM4E
SCHEMBL6292800 0.74 HRH3 (1.00) HRH3
SCHEMBL5261354 0.74 HRH3 (1.00) HRH3
SCHEMBL236972 0.72 HRH3 (0.58) HRH3HRH1HRH4KDM4EL3MBTL1
SCHEMBL5411369 0.72 HRH3 (0.53) HRH3HRH1L3MBTL1
SCHEMBL25059606 0.71 KDM4E (0.67) HRH3HRH1HRH4KDM4EL3MBTL1
SCHEMBL5427098 0.71 HRH3 (0.83) HRH3
SCHEMBL1376869 0.71 HRH3 (0.69) HRH3ESR1ESR2KCNH2
SCHEMBL5256907 0.71 HRH3 (1.00) HRH3HRH1KCNH2
SCHEMBL30735248 0.68 KDM4E (0.62) HRH3HRH1HRH4KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268478-B1 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARM INC (US) 2007-05-02 EP claimed
US-6908929-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US claimed
EP-1268478-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES Ortho McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP claimed
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US claimed
WO-2001074815-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO claimed
EP-1268478-B1 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARM INC (US) 2007-05-02 EP disclosed
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
US-7087757-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-08-08 US disclosed
US-7041827-B2 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY 2006-05-09 US disclosed
US-7041828-B2 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY 2006-05-09 US disclosed
US-6908929-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed
US-20050090523-A1 2-(substituted phenyl)imidazo[1,2-a]pyridine compounds; use to treat disorders mediated by the histamine H3 receptor such as sleep disorders, attention deficit hyperactivity disorder, or Alzheimer's disease; 2-[4-[3-(Piperidino)propylamino]phenyl]-8-methylimidazo[1,2-a]pyridine for example BREITENBUCHER J G (US) 2005-04-28 US disclosed
US-20050085502-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J G (US) 2005-04-21 US disclosed
US-20050085501-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J G (US) 2005-04-21 US disclosed
US-20050049277-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-03-03 US disclosed
US-20050043348-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-02-24 US disclosed
EP-1268478-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES Ortho McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074815-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (6 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-20050043348-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885HRH1 1125/4885HRH4 246/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885HRH1 1125/4885HRH4 246/4885
US-20050085501-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885HRH1 1125/4885HRH4 246/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885HRH1 1125/4885HRH4 246/4885
US-20050090523-A1 2-(substituted phenyl)imidazo[1,2-a]pyridine compounds; use to treat disorders mediated by the histamine H3 receptor such as sleep disorders, attention deficit hyperactivity disorder, or Alzheimer's disease; 2-[4-[3-(Piperidino)propylamino]phenyl]-8-methylimidazo[1,2-a]pyridine for example HRH3, HRH4, HTR2C HRH3 1/4885HRH1 9/4885HRH4 2/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885HRH1 1125/4885HRH4 246/4885

“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.