SCHEMBL5425504

SCHEMBL5425504

Cc1cccn2cc(-c3ccc(OCCCN4CCN(CCc5ccccc5)CC4)cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.77
DRD2 P14416 5/20 0.70
DRD3 P35462 5/20 0.70
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL5261750 0.87 HRH3 (1.00) HRH3DRD2DRD3
SCHEMBL5414510 0.86 HRH3 (0.57) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL5259714 0.85 HRH3 (1.00) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL5427022 0.79 HRH3 (1.00) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL5411356 0.79 HRH3 (0.77) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL7681948 0.78 HRH3 (0.75) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL14519641 0.78 HRH3 (0.66) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL7675257 0.77 HRH3 (0.73) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL7681720 0.76 HRH3 (1.00) HRH3DRD2DRD3KDM4ENPC1
SCHEMBL5409223 0.76 HRH3 (0.54) HRH3DRD2DRD3KDM4ENPC1

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 8 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-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
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US 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 701/4885DRD2 2188/4885DRD3 1783/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885DRD2 2188/4885DRD3 1783/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885DRD2 2188/4885DRD3 1783/4885

“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.