SCHEMBL310344

SCHEMBL310344

COc1cc([C@H]2CC[C@@H](N3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 3/20 0.43
INSR P06213 1/20 0.42
MCHR1 Q99705 3/20 0.41
ADRA1B P35368 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR4 Q13639 2/20 0.39
QDPR P09417 1/20 0.39
EGFR P00533 1/20 0.38
ABCB1 P08183 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 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
SCHEMBL310212 1.00 TRPV6 (0.43) TRPV6INSRMCHR1ADRA1BHTR1A
SCHEMBL310211 1.00 TRPV6 (0.43) TRPV6INSRMCHR1ADRA1BHTR1A
SCHEMBL311689 0.89 TLR9 (0.47) MCHR1ADRA1BTLR9TLR8TLR7
SCHEMBL311234 0.83 EGFR (0.45) INSRHTR4EGFR
SCHEMBL18350611 0.83 QDPR (0.52) TRPV6ADRA1BHTR1AADRA1DADRA1A
SCHEMBL310977 0.81 EGFR (0.42) INSRADRA1BKDM4EALDH1A1HTR4
SCHEMBL310804 0.78 DRD2 (0.46) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL522340 0.77 IRAK4 (0.44) TRPV6ADRA1BHTR1AADRA1DADRA1A
SCHEMBL522383 0.77 IRAK4 (0.44) TRPV6ADRA1BHTR1AADRA1DADRA1A
SCHEMBL522339 0.77 IRAK4 (0.44) TRPV6ADRA1BHTR1AADRA1DADRA1A

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-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 TRPV6 1757/4885INSR 814/4885MCHR1 4640/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 TRPV6 1757/4885INSR 814/4885MCHR1 4640/4885

“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.