SCHEMBL6178700

SCHEMBL6178700

CCOC(=O)c1ccc(NC(=O)C(C)(C)C)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 9/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 4/20 0.41
MAPK10 P53779 1/20 0.41
MAPK1 P28482 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL6628438 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6177446 0.84 KDM4E (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6176305 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL3613321 0.77 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6175832 0.76 KDM4E (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL1680317 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL510572 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL13853230 0.74 CYP1A2 (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6176587 0.74 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL11181602 0.73 NPC1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT

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
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP disclosed
US-6951867-B2 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-10-04 US disclosed
EP-1543004-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER INC. (US) 2005-06-22 EP disclosed
EP-1440071-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS Pfizer Japan Inc. (JP) 2004-07-28 EP disclosed
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC 2004-07-01 US disclosed
WO-2004026868-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2004-04-01 WO 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 ALDH1A1 2581/4885KDM4E 2141/4885HPGD 1413/4885
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 ALDH1A1 1163/4885KDM4E 1816/4885HPGD 1018/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 ALDH1A1 2238/4885KDM4E 1796/4885HPGD 1468/4885

“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.