SCHEMBL5777321

SCHEMBL5777321

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
HTR4 Q13639 1/20 0.43
KCNH2 Q12809 1/20 0.39
PPARA Q07869 5/20 0.38
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 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
SCHEMBL6178115 0.91 HTR3A (0.42) HTR3AHTR4KCNH2PPARAGABRP
SCHEMBL5889440 0.86 GAA (0.44) HTR3AHTR4KCNH2PDE4BKDM4E
SCHEMBL5889550 0.82 HTR3A (0.56) HTR3AHTR4KCNH2PPARAGABRP
SCHEMBL6177967 0.81 HTR3A (0.41) HTR3AHTR4KCNH2TSHRKDM4E
SCHEMBL6178061 0.78 KCNH2 (0.41) HTR3AHTR4KCNH2PPARATSHR
SCHEMBL6179337 0.77 GAA (0.43) HTR3AHTR4KCNH2TSHRKDM4E
SCHEMBL7240727 0.76 KCNH2 (0.60) HTR3AHTR4KCNH2
SCHEMBL5779209 0.75 HTR4 (0.79) HTR3AHTR4KCNH2
SCHEMBL6178995 0.75 DHODH (0.48) PPARAKDM4ENPC1MAPTRAB9A
SCHEMBL6762031 0.71 BAZ2B (0.45) HTR3AHTR4KCNH2TSHRKDM4E

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 13 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-1620435-A1 IMADAZOPYRIDINE COMPOUNDS HAVING 5-HT sb 4 /sb RECEPTOR AGONISTIC ACTIVITY AND 5-HT sb 3 /sb RECEPTOR ANTAGONISTIC ACTIVITY PFIZER INC. (US) 2006-02-01 EP 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-1543005-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS 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
WO-2004094418-A1 IMIDAZOPYRIDINE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY AND 5-HT3 RECEPTOR ANTAGONISTIC ACTIVITY PFIZER INC. (US) 2004-11-04 WO 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-2004026869-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS 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 HTR3A 28/4885HTR4 1/4885KCNH2 962/4885
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 HTR3A 35/4885HTR4 1/4885KCNH2 1390/4885
US-20040266814-A1 Imidazopyridine compounds having 5-HT4 receptor agonistic activity and 5-HT3 receptor antagonistic activity HTR4, HRH4, GIPR HTR3A 11/4885HTR4 1/4885KCNH2 1253/4885
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 HTR3A 35/4885HTR4 1/4885KCNH2 840/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 HTR3A 27/4885HTR4 2/4885KCNH2 895/4885

“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.