SCHEMBL4772991

SCHEMBL4772991

O=C(O)NCCOCC#Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CYP2A6 P11509 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2B6 P20813 3/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2E1 P05181 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C8 P10632 1/20 0.44
FFAR1 O14842 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PLOD2 O00469 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38

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
SCHEMBL3607722 0.79 CHRNB2 (0.64) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL23748572 0.74 PTAFR (0.54) CYP2C9CYP2C19CYP3A4CYP1A2MEN1
SCHEMBL4766528 0.73 CYP2A6 (0.57) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL6518512 0.73 KMT2A (0.67) CYP2C9CYP2C19CYP3A4CYP1A2MEN1
SCHEMBL28764754 0.72 LMNA (0.52) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL23319550 0.72 ALDH1A1 (0.36) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL4773222 0.71 CHRNA7 (0.56) MEN1KMT2A
SCHEMBL31673233 0.70 CYP2A6 (0.57) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19
SCHEMBL23319592 0.69 EGLN1 (0.38) CYP2C19CYP3A4CYP1A2MEN1KMT2A
SCHEMBL16031499 0.68 PTGES (0.45) CHRNB2CHRNA4CYP2A6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 CHRNB2 4821/4885CHRNA4 4110/4885CYP2A6 600/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP CHRNB2 4883/4885CHRNA4 4834/4885CYP2A6 477/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 CHRNB2 4821/4885CHRNA4 4110/4885CYP2A6 600/4885

“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.