SCHEMBL2591382

SCHEMBL2591382

C[Si](C)(C)CCOC(=O)N1CCC(Oc2nc3ccc(C4CCN(C(=O)O)CC4)cc3s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ACACB O00763 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR9 Q9NR96 7/20 0.37
TLR8 Q9NR97 7/20 0.37
TLR7 Q9NYK1 7/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 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
SCHEMBL2583897 0.91 PDE4B (0.43) PDE4BTLR9TLR8TLR7
SCHEMBL2594174 0.82 KDM4E (0.35) ALDH1A1KDM4EACACBCYP2D6CYP2C9
SCHEMBL2592954 0.81 ACACB (0.38) PDE4BACACBCYP2D6CYP2C9TLR9
SCHEMBL14719113 0.77 SCD (0.39) ACACBMAPT
SCHEMBL2587381 0.75 LIPC (0.44) TLR7
SCHEMBL2589683 0.74 ACACB (0.55) ALDH1A1ACACBCYP2C9HPGDCYP2C19
SCHEMBL2589502 0.73 PDE4B (0.47) PDE4BL3MBTL1KDM4ETLR9TLR8
SCHEMBL14728962 0.72 PDE4B (0.44) PDE4BCYP2C19SMN1; SMN2HTT
SCHEMBL14729019 0.71 ACACB (0.36) PDE4BALDH1A1KDM4EACACBCYP2D6
SCHEMBL14729022 0.71 GPR119 (0.36) PDE4BALDH1A1KDM4EACACBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 PDE4B 556/4885L3MBTL1 2364/4885ALDH1A1 2991/4885

“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.