SCHEMBL5409144

SCHEMBL5409144

Cc1ccn2cc(-c3ccc(OCCCNCc4ccc(F)cc4)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.59
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PKM P14618 1/20 0.54
DRD2 P14416 5/20 0.51
DRD3 P35462 5/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD4 P21917 1/20 0.45
FFAR1 O14842 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
SCHEMBL5417574 0.79 HRH3 (0.73) HRH3KDM4ENPC1RAB9APKM
SCHEMBL4727102 0.78 SMN1; SMN2 (0.79) HRH3KDM4ENPC1RAB9APKM
SCHEMBL5409141 0.78 NPC1 (0.53) HRH3KDM4ENPC1RAB9APKM
SCHEMBL5261259 0.76 HRH3 (0.66) HRH3KDM4ENPC1RAB9APKM
SCHEMBL5429025 0.74 HRH3 (0.87) HRH3KDM4ENPC1RAB9APKM
SCHEMBL7684690 0.74 HRH3 (1.00) HRH3
SCHEMBL5257756 0.74 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL6291771 0.73 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL4653816 0.73 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL13325910 0.72 SMN1; SMN2 (0.93) HRH3KDM4ENPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049277-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-03-03 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-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-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 (4 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 1467/4885NPC1 323/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885NPC1 323/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885NPC1 323/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885NPC1 323/4885

“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.