SCHEMBL2123391

SCHEMBL2123391

CC(C)(C)OC(=O)N1CC2(CCOCC2)c2ncc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.41
DGAT1 O75907 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3R1 P27986 9/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
NR1H2 P55055 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL2123320 0.85 PDE4B (0.34) PIK3CA
SCHEMBL2123930 0.84 PIK3CA (0.56) PIK3CA
SCHEMBL13732154 0.82 NR1H2 (0.39) DGAT1CTSLCTSSNR1H2USP30
SCHEMBL28514637 0.80 USP30 (0.35) PIK3CAUSP2SMN1; SMN2PIK3R1USP30
SCHEMBL29966436 0.80 PIK3CA (0.40) PIK3CAUSP2SMN1; SMN2USP30
SCHEMBL22471426 0.80 PIK3CA (0.40) PIK3CAUSP2SMN1; SMN2USP30
SCHEMBL5959175 0.78 NOTUM (0.40) PIK3CAUSP2SMN1; SMN2USP30ABHD6
SCHEMBL26863449 0.77 PIK3CA (0.35) PIK3CAUSP2SMN1; SMN2PIK3R1PIK3CD
SCHEMBL26863452 0.76 NOTUM (0.36) PIK3CAUSP2SMN1; SMN2PIK3R1PIK3CD
SCHEMBL17436183 0.75 NOTUM (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885DGAT1 2854/4885CTSL 1633/4885

“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.