SCHEMBL5419331

SCHEMBL5419331

Cc1cccn2cc(-c3ccc(NC(=O)CN4CCCC4)cc3)nc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.80
KDM4E B2RXH2 7/20 0.69
ALDH1A1 P00352 7/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
HPGD P15428 3/20 0.60
MAPT P10636 1/20 0.60
NPC1 O15118 7/20 0.58
RAB9A P51151 6/20 0.58
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.54
TP53 P04637 4/20 0.51
HSD17B10 Q99714 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL5413898 0.89 HRH3 (1.00) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL1494878 0.85 KDM4E (0.78) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL24733341 0.83 KDM4E (0.74) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL1494779 0.82 KDM4E (1.00) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL1514674 0.82 KDM4E (0.77) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL1494896 0.81 ALDH1A1 (0.71) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL5259826 0.80 HRH3 (0.86) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL5259092 0.79 HRH3 (0.88) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL5406505 0.78 KDM4E (0.68) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL12726066 0.78 ALDH1A1 (0.68) HRH3KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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-6908929-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed
US-20050085502-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 (5 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 701/4885KDM4E 1467/4885ALDH1A1 767/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885ALDH1A1 767/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885ALDH1A1 767/4885
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 1/4885KDM4E 225/4885ALDH1A1 580/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885ALDH1A1 767/4885

“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.