SCHEMBL17535720

SCHEMBL17535720

CCOC(=O)c1cc(OCC)c(C2CCN(C(=O)OC(C)(C)C)CC2)c(OCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
GLA P06280 1/20 0.43
ATM Q13315 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
SCHEMBL17535969 0.85 GLA (0.47) ALDH1A1NPSR1GAAKMT2ATP53
SCHEMBL23094550 0.80 GPR119 (0.54) HPGDALDH1A1NPSR1MEN1GAA
SCHEMBL16055031 0.79 CA12 (0.46) ALDH1A1NPSR1GAATP53LMNA
SCHEMBL8040438 0.79 NAMPT (0.54) HPGDALDH1A1NPSR1MEN1GAA
SCHEMBL4757884 0.79 ALDH1A1 (0.54) HPGDALDH1A1NPSR1MEN1GAA
SCHEMBL3718093 0.79 TP53 (0.51) HPGDALDH1A1NPSR1MEN1GAA
SCHEMBL1274282 0.78 TP53 (0.55) HPGDALDH1A1NPSR1MEN1GAA
SCHEMBL16056333 0.77 FDFT1 (0.38) ALDH1A1NPSR1GAATP53LMNA
SCHEMBL24329551 0.76 TP53 (0.47) HPGDALDH1A1NPSR1MEN1GAA
SCHEMBL29554698 0.76 TP53 (0.47) HPGDALDH1A1NPSR1MEN1GAA

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-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 HPGD 3127/4885ALDH1A1 2449/4885NPSR1 19/4885

“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.