SCHEMBL17535322

SCHEMBL17535322

COC(=O)c1ccc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PTK2 Q05397 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PLK1 P53350 3/20 0.37
SIRT6 Q8N6T7 1/20 0.37
ALK Q9UM73 1/20 0.37
HCRTR1 O43613 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 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
SCHEMBL17535540 0.81 OPRK1 (0.37) MAPTKDM4EALDH1A1
SCHEMBL15456939 0.81 PTGER4 (0.39) MAPTKMT2AMEN1HRH3SIRT6
SCHEMBL17535415 0.80 NR1I2 (0.35) MAPTKDM4EALDH1A1HRH3GAA
SCHEMBL10145139 0.80 GAA (0.45) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL16056050 0.80 HIF1A (0.46) HIF1AMAPTKDM4EALDH1A1HTT
SCHEMBL24107480 0.78 HRH3 (0.60) KMT2AHRH3
SCHEMBL20976848 0.77 HIF1A (0.60) HIF1AMAPTALDH1A1KMT2AMEN1
SCHEMBL15398592 0.77 PTGER4 (0.36) HRH3PLK1
SCHEMBL12316369 0.76 HIF1A (0.62) HIF1AMAPTKDM4EALDH1A1HTT
SCHEMBL30263167 0.76 HIF1A (0.62) HIF1AMAPTKDM4EALDH1A1HTT

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 HIF1A 1757/4885BCL9 3067/4885CTNNB1 2197/4885

“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.