SCHEMBL17021876

SCHEMBL17021876

CCCCOC[C@H](NC(=O)OC(C)(C)C)c1nnn(C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
GHSR Q92847 3/20 0.36
CTSK P43235 6/20 0.36
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
CTSS P25774 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17021897 0.88 GHSR (0.41) TSHRL3MBTL1ALDH1A1LMNAGHSR
SCHEMBL17021889 0.87 TSHR (0.40) TSHRL3MBTL1ALDH1A1LMNAGHSR
SCHEMBL17018456 0.81 MAPK1 (0.41) TSHRL3MBTL1ALDH1A1LMNANPC1
SCHEMBL17021888 0.80 TSHR (0.41) TSHRL3MBTL1ALDH1A1LMNAGHSR
SCHEMBL17018565 0.80 GHSR (0.58) GHSRCTSS
SCHEMBL17021900 0.79 PLA2G2C (0.43) TSHRL3MBTL1ALDH1A1LMNACTSK
SCHEMBL17021918 0.74 GHSR (0.54) GHSRCTSKCTSS
SCHEMBL24058755 0.73 TSHR (0.38) TSHRL3MBTL1ALDH1A1LMNACTSK
SCHEMBL20057137 0.73 TSHR (0.38) TSHRL3MBTL1ALDH1A1LMNACTSK
SCHEMBL16561772 0.72 TSHR (0.53) TSHRL3MBTL1ALDH1A1LMNACTSK

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-9278968-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-03-08 US disclosed
US-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2015-08-20 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-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS PRKG1, PDE3B, PDE3A TSHR 4263/4885L3MBTL1 2555/4885ALDH1A1 2391/4885

“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.