SCHEMBL994561

SCHEMBL994561

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C1)N2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
CHRNB2 P17787 12/20 0.53
CHRNA3 P32297 12/20 0.53
CHRNA4 P43681 12/20 0.53
CHRNB3 Q05901 12/20 0.53
CHRNA6 Q15825 12/20 0.53
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL25409415 1.00 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL1979623 1.00 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22169156 0.91 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24884312 0.91 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL608991 0.91 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL400513 0.91 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL7149386 0.89 NR1H2 (0.49) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL18081207 0.87 NR1H2 (0.47) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL5242607 0.87 NR1H2 (0.47) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL5241504 0.87 NR1H2 (0.47) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP 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

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 NR1H2 3124/4885CHRNB2 4300/4885CHRNA3 4105/4885

“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.