SCHEMBL5889440

SCHEMBL5889440

CCc1cn2c(N)c(Cl)cc(C(=O)OC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HTR3A P46098 1/20 0.43
HTR4 Q13639 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NQO2 P16083 7/20 0.41
KCNH2 Q12809 1/20 0.40
ABL1 P00519 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
PDE4B Q07343 2/20 0.35
ADCY10 Q96PN6 1/20 0.35
F2 P00734 1/20 0.34

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
SCHEMBL6179337 0.91 GAA (0.43) GAAHTR3AHTR4KDM4EALDH1A1
SCHEMBL5777321 0.86 HTR3A (0.43) HTR3AHTR4KDM4EALDH1A1MAPT
SCHEMBL5889428 0.83 HTR3A (0.55) GAAHTR3AHTR4KDM4EALDH1A1
SCHEMBL6177033 0.80 GAA (0.44) GAAHTR3AHTR4KDM4EALDH1A1
SCHEMBL6178418 0.77 ALDH1A1 (0.45) GAAKDM4EALDH1A1MAPTADCY10
SCHEMBL6178115 0.77 HTR3A (0.42) HTR3AHTR4KDM4EKCNH2
SCHEMBL6762031 0.76 BAZ2B (0.45) GAAHTR3AHTR4KDM4EALDH1A1
SCHEMBL6765012 0.75 HTR4 (0.57) HTR3AHTR4KCNH2
SCHEMBL5779209 0.74 HTR4 (0.79) HTR3AHTR4KCNH2
SCHEMBL6179085 0.74 GAA (0.48) GAAKDM4EALDH1A1MAPTNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012080-B2 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC. (US) 2006-03-14 US disclosed
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP disclosed
US-6951867-B2 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-10-04 US disclosed
EP-1543004-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER INC. (US) 2005-06-22 EP disclosed
US-20040266814-A1 Imidazopyridine compounds having 5-HT4 receptor agonistic activity and 5-HT3 receptor antagonistic activity PFIZER INC 2004-12-30 US disclosed
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC 2004-07-01 US disclosed
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC 2004-06-24 US disclosed
WO-2004026868-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators UCHIDA CHIKARA (JP) 2004-02-19 US disclosed
US-6624162-B2 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, Functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. PFIZER INC. 2003-09-23 US disclosed
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. 2003-05-15 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 (5 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-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 GAA 3781/4885HTR3A 28/4885HTR4 1/4885
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 GAA 3732/4885HTR3A 35/4885HTR4 1/4885
US-20040266814-A1 Imidazopyridine compounds having 5-HT4 receptor agonistic activity and 5-HT3 receptor antagonistic activity HTR4, HRH4, GIPR GAA 3755/4885HTR3A 11/4885HTR4 1/4885
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 GAA 3990/4885HTR3A 35/4885HTR4 1/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 GAA 3701/4885HTR3A 27/4885HTR4 2/4885

“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.