SCHEMBL5889439

SCHEMBL5889439

CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CCC(C)(C)C)CC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.61
HTR4 Q13639 8/20 0.58
HTR3A P46098 1/20 0.58
CACNA1I Q9P0X4 7/20 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
SCHEMBL5889899 0.91 KCNH2 (0.62) KCNH2HTR4HTR3ACACNA1I
SCHEMBL6767167 0.90 KCNH2 (0.62) KCNH2HTR4HTR3A
SCHEMBL6306539 0.89 KCNH2 (0.61) KCNH2HTR4HTR3ACACNA1I
SCHEMBL6246866 0.88 KCNH2 (0.61) KCNH2HTR4HTR3ACACNA1I
SCHEMBL8345408 0.88 KCNH2 (0.68) KCNH2HTR4HTR3A
SCHEMBL6180780 0.87 KCNH2 (0.60) KCNH2HTR4HTR3A
SCHEMBL6703751 0.87 KCNH2 (0.60) KCNH2HTR4HTR3ACACNA1I
SCHEMBL5889424 0.87 KCNH2 (0.59) KCNH2HTR4HTR3A
Hydrochloric Acid SCHEMBL6770784 0.87 KCNH2 (0.59) KCNH2HTR4HTR3A
SCHEMBL6701587 0.86 KCNH2 (0.55) KCNH2HTR4HTR3ACACNA1I

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 10 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 claimed
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC 2004-06-24 US claimed
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
EP-1440071-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS Pfizer Japan Inc. (JP) 2004-07-28 EP 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 (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-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 KCNH2 962/4885HTR4 1/4885HTR3A 28/4885
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 KCNH2 840/4885HTR4 1/4885HTR3A 35/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 KCNH2 895/4885HTR4 2/4885HTR3A 27/4885

“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.