SCHEMBL5312656

SCHEMBL5312656

Cc1ccn2cc(-c3cccc(OCCCCl)c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 5/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 2/20 0.53
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
GFER P55789 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5417574 0.87 HRH3 (0.73) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL5260918 0.84 HRH3 (0.80) HRH3KDM4EDRD2DRD3
SCHEMBL5261465 0.81 HRH3 (0.72) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL5263773 0.80 HRH3 (0.73) HRH3NPC1RAB9AKDM4EPKM
Bromide SCHEMBL5313495 0.79 HRH3 (0.72) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL18568775 0.76 HRH3 (0.52) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL19322160 0.76 ALDH1A1 (0.70) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL16212159 0.76 SUV39H2 (0.43) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL6393875 0.75 SMN1; SMN2 (0.79) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL15101534 0.75 SMN1; SMN2 (0.64) NPC1RAB9AKDM4EPKMALDH1A1

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 14 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 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 701/4885NPC1 323/4885RAB9A 3610/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885NPC1 323/4885RAB9A 3610/4885
US-20050085501-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885NPC1 323/4885RAB9A 3610/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885NPC1 323/4885RAB9A 3610/4885
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 1/4885NPC1 501/4885RAB9A 1937/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885NPC1 323/4885RAB9A 3610/4885

“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.