SCHEMBL5779209

SCHEMBL5779209

CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCNCC3)c2n1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.79
HTR3A P46098 1/20 0.79
KCNH2 Q12809 1/20 0.57
CHRM1 P11229 14/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM3 P20309 3/20 0.43
CHRM5 P08912 2/20 0.43
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL5780083 0.88 HTR4 (1.00) HTR4HTR3AKCNH2CHRM1CHRM2
Hydrochloric Acid SCHEMBL5889662 0.87 HTR4 (0.98) HTR4HTR3AKCNH2CHRM1CHRM2
SCHEMBL7240727 0.87 KCNH2 (0.60) HTR4HTR3AKCNH2
SCHEMBL5889439 0.85 KCNH2 (0.61) HTR4HTR3AKCNH2
SCHEMBL5889899 0.84 KCNH2 (0.62) HTR4HTR3AKCNH2
SCHEMBL6767167 0.84 KCNH2 (0.62) HTR4HTR3AKCNH2
SCHEMBL6306544 0.84 KCNH2 (0.61) HTR4HTR3AKCNH2
SCHEMBL6306539 0.84 KCNH2 (0.61) HTR4HTR3AKCNH2
SCHEMBL6247389 0.83 KCNH2 (0.68) HTR4HTR3AKCNH2
SCHEMBL8345408 0.83 KCNH2 (0.68) HTR4HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20040266814-A1 Imidazopyridine compounds having 5-HT4 receptor agonistic activity and 5-HT3 receptor antagonistic activity PFIZER INC 2004-12-30 US claimed
WO-2004094418-A1 IMIDAZOPYRIDINE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY AND 5-HT3 RECEPTOR ANTAGONISTIC ACTIVITY PFIZER INC. (US) 2004-11-04 WO claimed
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
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
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
EP-1440071-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS Pfizer Japan Inc. (JP) 2004-07-28 EP 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
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
WO-2003035649-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-05-01 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 (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 HTR4 1/4885HTR3A 28/4885KCNH2 962/4885
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 HTR4 1/4885HTR3A 35/4885KCNH2 1390/4885
US-20040266814-A1 Imidazopyridine compounds having 5-HT4 receptor agonistic activity and 5-HT3 receptor antagonistic activity HTR4, HRH4, GIPR HTR4 1/4885HTR3A 11/4885KCNH2 1253/4885
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 HTR4 1/4885HTR3A 35/4885KCNH2 840/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 HTR4 2/4885HTR3A 27/4885KCNH2 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.