SCHEMBL5889418

SCHEMBL5889418

Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.69
HTR4 Q13639 1/20 0.69
KCNH2 Q12809 1/20 0.69
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
TP53 P04637 6/20 0.46
LMNA P02545 4/20 0.46
GNRHR P30968 1/20 0.45
IL1B P01584 2/20 0.43
P2RX7 Q99572 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
BCDIN3D Q7Z5W3 1/20 0.41
TGFBR1 P36897 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
SCHEMBL5777100 0.90 KCNH2 (0.55) HTR3AHTR4KCNH2KDM4EPKM
SCHEMBL5889579 0.85 KCNH2 (0.77) HTR3AHTR4KCNH2
SCHEMBL6703420 0.84 HTR4 (0.71) HTR3AHTR4KCNH2
SCHEMBL6246478 0.84 KCNH2 (0.76) HTR3AHTR4KCNH2
SCHEMBL5889452 0.84 KCNH2 (0.73) HTR3AHTR4KCNH2
SCHEMBL6275571 0.83 KCNH2 (0.75) HTR3AHTR4KCNH2
SCHEMBL5889421 0.82 KCNH2 (0.71) HTR3AHTR4KCNH2
SCHEMBL5889426 0.82 KCNH2 (0.71) HTR3AHTR4KCNH2
SCHEMBL6702946 0.82 KCNH2 (0.73) HTR3AHTR4KCNH2
SCHEMBL6314948 0.82 KCNH2 (0.81) HTR3AHTR4KCNH2

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 5 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
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
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

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-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

“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.