SCHEMBL994040

SCHEMBL994040

CC(C)(C)OC(=O)N1CCN(C2(C#N)CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RECQL P46063 1/20 0.46
ALDH1A1 P00352 3/20 0.40
CCR2 P41597 1/20 0.39
EPHX2 P34913 1/20 0.39
CTSD P07339 2/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
PIK3CA P42336 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 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
SCHEMBL29503576 0.92 USP2 (0.49) USP2SMN1; SMN2RECQLALDH1A1CCR2
SCHEMBL24394304 0.92 USP2 (0.49) USP2SMN1; SMN2RECQLALDH1A1CCR2
SCHEMBL2398369 0.89 USP2 (0.59) USP2SMN1; SMN2RECQLALDH1A1EPHX2
SCHEMBL14314348 0.87 USP2 (0.44) USP2SMN1; SMN2RECQLALDH1A1EPHX2
SCHEMBL18406799 0.86 USP2 (0.50) USP2SMN1; SMN2RECQLALDH1A1EPHX2
SCHEMBL14306563 0.86 HPGD (0.43) USP2SMN1; SMN2ALDH1A1EPHX2CTSS
SCHEMBL3665241 0.86 HPGD (0.43) USP2SMN1; SMN2ALDH1A1EPHX2CTSS
SCHEMBL14314342 0.85 EPHX2 (0.42) USP2SMN1; SMN2ALDH1A1EPHX2CTSK
SCHEMBL14314344 0.84 USP2 (0.41) USP2SMN1; SMN2ALDH1A1EPHX2CTSS
SCHEMBL13587115 0.82 USP2 (0.42) USP2SMN1; SMN2RECQLALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-7314879-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2008-01-01 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB USP2 3145/4885SMN1; SMN2 2967/4885RECQL 314/4885

“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.