SCHEMBL5889899

SCHEMBL5889899

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
HTR4 Q13639 12/20 0.57
HTR3A P46098 1/20 0.57
CACNA1I Q9P0X4 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL6306539 0.94 KCNH2 (0.61) KCNH2HTR4HTR3ACACNA1IDRD2
SCHEMBL5889424 0.92 KCNH2 (0.59) KCNH2HTR4HTR3ADRD2DRD4
SCHEMBL5889439 0.91 KCNH2 (0.61) KCNH2HTR4HTR3ACACNA1I
SCHEMBL6246866 0.90 KCNH2 (0.61) KCNH2HTR4HTR3ACACNA1IDRD2
SCHEMBL5889579 0.89 KCNH2 (0.77) KCNH2HTR4HTR3ACACNA1IDRD2
SCHEMBL6703751 0.89 KCNH2 (0.60) KCNH2HTR4HTR3ACACNA1I
SCHEMBL6767167 0.88 KCNH2 (0.62) KCNH2HTR4HTR3A
SCHEMBL6314932 0.88 KCNH2 (0.58) KCNH2HTR4HTR3ACACNA1IDRD2
SCHEMBL7240727 0.86 KCNH2 (0.60) KCNH2HTR4HTR3ADRD2DRD4
SCHEMBL8345408 0.86 KCNH2 (0.68) KCNH2HTR4HTR3ADRD2DRD4

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 2 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-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 (1 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-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 KCNH2 840/4885HTR4 1/4885HTR3A 35/4885

“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.