SCHEMBL5780083

SCHEMBL5780083

Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCNCC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 1.00
HTR3A P46098 1/20 1.00
KCNH2 Q12809 1/20 0.72
CHRM1 P11229 15/20 0.47
CHRM2 P08172 3/20 0.47
CHRM4 P08173 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRM5 P08912 2/20 0.47

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 SCHEMBL5889662 0.99 HTR4 (0.98) HTR4HTR3AKCNH2CHRM1CHRM2
SCHEMBL5779209 0.88 HTR4 (0.79) HTR4HTR3AKCNH2CHRM1CHRM2
SCHEMBL5889425 0.84 KCNH2 (1.00) HTR4HTR3AKCNH2
SCHEMBL5889579 0.84 KCNH2 (0.77) HTR4HTR3AKCNH2
SCHEMBL6246478 0.83 KCNH2 (0.76) HTR4HTR3AKCNH2
SCHEMBL6178204 0.83 KCNH2 (0.76) HTR4HTR3AKCNH2
SCHEMBL6703420 0.83 HTR4 (0.71) HTR4HTR3AKCNH2
SCHEMBL6275571 0.82 KCNH2 (0.75) HTR4HTR3AKCNH2
SCHEMBL6177604 0.82 KCNH2 (0.74) HTR4HTR3AKCNH2
SCHEMBL6703462 0.82 KCNH2 (0.85) 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 7 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-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
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC 2004-07-01 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-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

“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.