SCHEMBL5262015

SCHEMBL5262015

Cc1cc(OCCCCl)ccc1C(=O)CBr

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.51
THRB P10828 3/20 0.51
HTT P42858 1/20 0.44
GSK3B P49841 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 3/20 0.40
PDIA6 Q15084 1/20 0.40
MCL1 Q07820 1/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3066697 0.83 THRA (0.48) THRATHRBHTTMAOBPDIA6
SCHEMBL5262606 0.83 L3MBTL1 (0.50) THRATHRBMAOBPPARDL3MBTL1
SCHEMBL3079622 0.83 THRA (0.48) THRATHRBHTTMCL1PPARG
SCHEMBL5264249 0.82 MAOB (0.43) MAOBPPARGPPARDFFAR4
SCHEMBL3080356 0.82 THRA (0.47) THRATHRBHTTPDIA6MCL1
SCHEMBL3065292 0.81 THRA (0.46) THRATHRBPDIA6MCL1PPARG
SCHEMBL7399586 0.81 MCL1 (0.59) THRATHRBHTTMCL1PPARG
SCHEMBL1376877 0.80 THRA (0.55) THRATHRBHTTMCL1L3MBTL1
SCHEMBL6635996 0.80 HTT (0.67) HTTGSK3BL3MBTL1SMN1; SMN2
SCHEMBL7333337 0.78 HPGD (0.50) HTTGSK3BL3MBTL1KDM4ESMN1; SMN2

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 THRA 3120/4885THRB 3410/4885HTT 1098/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 THRA 3120/4885THRB 3410/4885HTT 1098/4885
US-20050085501-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 THRA 3120/4885THRB 3410/4885HTT 1098/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 THRA 3120/4885THRB 3410/4885HTT 1098/4885
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 THRA 920/4885THRB 1620/4885HTT 121/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 THRA 3120/4885THRB 3410/4885HTT 1098/4885

“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.