SCHEMBL6177801

SCHEMBL6177801

CCCc1cn2c(N)ccc(C(=O)NC3CCN(CCCOC)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR1A P08908 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.46
PTGS1 P23219 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR3A P46098 1/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.41
DRD4 P21917 2/20 0.40
HTR7 P34969 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
Hydrochloric Acid SCHEMBL6764321 0.99 HTR4 (0.48) HTR4CYP3A4CYP2D6HTR1AADRA2C
SCHEMBL6177889 0.85 HTR4 (0.56) HTR4HTR1AADRA2CACHEPTGS1
Hydrochloric Acid SCHEMBL6765846 0.84 HTR4 (0.55) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6194962 0.84 HTR4 (0.57) HTR4CYP3A4CYP2D6HTR1AADRA2C
Hydrochloric Acid SCHEMBL6179325 0.83 HTR4 (0.56) HTR4CYP3A4CYP2D6HTR1AADRA2C
SCHEMBL6178626 0.82 HTR4 (0.50) HTR4CYP3A4CYP2D6HTR1AADRA2C
SCHEMBL6177156 0.81 HTR4 (0.59) HTR4CYP3A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6765801 0.81 HTR4 (0.58) HTR4CYP3A4CYP2D6KCNH2
SCHEMBL6177040 0.80 HTR4 (0.49) HTR4KCNH2
SCHEMBL6765012 0.79 HTR4 (0.57) HTR4HTR1AADRA2CACHEPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP 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 (2 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 1/4885CYP3A4 349/4885CYP2D6 720/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 HTR4 2/4885CYP3A4 322/4885CYP2D6 654/4885

“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.