SCHEMBL4102372

SCHEMBL4102372

CC(C)(C)OC(=O)N1CCC(Oc2ncccn2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.56
GPR119 Q8TDV5 2/20 0.56
USP30 Q70CQ3 1/20 0.49
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48

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
SCHEMBL7900769 1.00 PIK3CD (0.56) PIK3CDGPR119USP30PIK3CAPIK3CB
SCHEMBL4714125 0.92 GPR119 (0.62) GPR119
SCHEMBL2995903 0.89 GPR119 (0.51) PIK3CDGPR119USP30
SCHEMBL31108147 0.86 HMOX1 (0.57) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL31108144 0.86 HMOX1 (0.57) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL23842628 0.86 PIK3CD (0.53) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL2536876 0.86 HMOX1 (0.57) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL22055497 0.84 PIK3CD (0.52) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL30044209 0.83 PIK3CD (0.56) PIK3CDGPR119PIK3CAPIK3CBPIK3CG
SCHEMBL23608571 0.83 PIK3CD (0.56) PIK3CDGPR119PIK3CAPIK3CBPIK3CG

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-20210276978-A1 INHIBITORS OF HISTONE DEACETYLASE ALKERMES, INC. 2021-09-09 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20210276978-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC7 PIK3CD 3104/4885GPR119 1305/4885USP30 863/4885
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 PIK3CD 4163/4885GPR119 3443/4885USP30 584/4885

“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.