SCHEMBL10041841

SCHEMBL10041841

C[C@@H](CC(=O)OC(C)(C)C)N(Cc1ccccc1)[C@@H](C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
USP2 O75604 2/20 0.39
RIPK1 Q13546 2/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL3525016 1.00 AKT1 (0.41) AKT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15630751 0.89 AKT1 (0.41) AKT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15630764 0.86 AKT1 (0.39) AKT1USP2RIPK1CTSLCTSB
SCHEMBL15630730 0.85 AKT1 (0.39) AKT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19468947 0.85 KCNA5 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL19468945 0.85 KCNA5 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL17793376 0.85 KCNA5 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL29219622 0.83 AKT1 (0.37) AKT1USP2CTSSPTGES
SCHEMBL18109338 0.83 CTSK (0.43) AKT1RIPK1CTSLCTSS
SCHEMBL30541442 0.83 AKT1 (0.37) AKT1USP2CTSSPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
US-8288548-B2 Oxazolo[5-4-b]pyridin-5-yl compounds ELI LILLY AND COMPANY (US) 2012-10-16 US disclosed
US-20120142724-A1 OXAZOLO[5-4-b]PYRIDIN-5-YL COMPOUNDS ELI LILLY AND COMPANY (US) 2012-06-07 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-20120142724-A1 OXAZOLO[5-4-b]PYRIDIN-5-YL COMPOUNDS CDK4, AURKB, PNPO AKT1 2532/4885CHRNB2 3801/4885CHRNB4 2678/4885
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 AKT1 465/4885CHRNB2 3056/4885CHRNB4 3179/4885

“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.