SCHEMBL5413874

SCHEMBL5413874

CCC(NC1CCCCCC1)Oc1ccc(-c2cn3ccc(C)cc3n2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
KDM4E B2RXH2 6/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
TLR9 Q9NR96 3/20 0.38
TLR7 Q9NYK1 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5413760 0.91 HRH3 (0.54) HRH3KDM4ERAB9ANPC1PKM
SCHEMBL5261256 0.86 NPC1 (0.54) HRH3KDM4ERAB9ANPC1PKM
SCHEMBL5427076 0.80 HRH3 (0.64) HRH3KDM4ERAB9ANPC1PKM
SCHEMBL5413880 0.80 HRH3 (0.69) HRH3KDM4ERAB9ANPC1PKM
SCHEMBL6295832 0.72 HRH3 (1.00) HRH3TLR9TLR7
SCHEMBL5260036 0.72 HRH3 (1.00) HRH3TLR9TLR7
SCHEMBL5263773 0.71 HRH3 (0.73) HRH3KDM4ERAB9ANPC1PKM
SCHEMBL5261351 0.70 HRH3 (0.63) HRH3KDM4ERAB9ANPC1PKM
SCHEMBL5413761 0.70 HRH3 (0.68) HRH3KDM4ERAB9ANPC1PKM
SCHEMBL14528958 0.68 SMN1; SMN2 (0.54) HRH3KDM4ERAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 1467/4885RAB9A 3610/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885RAB9A 3610/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885KDM4E 1467/4885RAB9A 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.