SCHEMBL5409223

SCHEMBL5409223

Cc1cccn2cc(-c3ccc(OCC(O)CN4CCN(Cc5ccccc5)CC4)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 3/20 0.53
HTR1A P08908 2/20 0.53
HTR7 P34969 2/20 0.53
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
CACNA1G O43497 1/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL5414510 0.91 HRH3 (0.57) HRH3ALDH1A1SMN1; SMN2KCNH2HTR1A
SCHEMBL5422305 0.82 HRH3 (0.60) HRH3ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL14519641 0.77 HRH3 (0.66) HRH3ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL5425504 0.76 HRH3 (0.77) HRH3ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL5422311 0.76 HRH3 (0.55) HRH3ALDH1A1SMN1; SMN2CYP2D6TSHR
SCHEMBL14519651 0.76 HRH3 (0.71) HRH3ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL13033243 0.75 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL5409111 0.75 HRH3 (0.56) HRH3ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL14519650 0.74 HRH3 (0.75) HRH3
SCHEMBL13621747 0.74 CACNA1G (0.87) ALDH1A1SMN1; SMN2CYP2D6CYP2C9CYP2C19

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 701/4885ALDH1A1 767/4885SMN1; SMN2 2726/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885ALDH1A1 767/4885SMN1; SMN2 2726/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 HRH3 701/4885ALDH1A1 767/4885SMN1; SMN2 2726/4885

“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.