SCHEMBL17535634

SCHEMBL17535634

CCOc1nc(CO[Si](C(C)C)(C(C)C)C(C)C)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3565081 0.89 MAPK1 (0.39) HTR1AADRA1DADRA1AADRA1BMAPK1
SCHEMBL17535463 0.84 MAPK1 (0.41) MAPK1HTTLMNAALDH1A1HPGD
SCHEMBL17535541 0.81 S1PR4 (0.32)
SCHEMBL13343554 0.81 L3MBTL1 (0.46) MAPK1HTTLMNAALDH1A1HPGD
SCHEMBL17535758 0.79 HTT (0.39) HTR1AMAPK1HTTLMNAALDH1A1
SCHEMBL17535949 0.75 TSHR (0.34) MAPK1ALDH1A1HPGDTSHRL3MBTL1
SCHEMBL1315107 0.74 TSHR (0.46) ADRA1AMAPK1HTTLMNAALDH1A1
SCHEMBL3570324 0.69 L3MBTL1 (0.41) HTR1AADRA1DADRA1AADRA1BMAPK1
SCHEMBL31434505 0.68 APP (0.58) MAPK1HTTALDH1A1L3MBTL1MAPT
SCHEMBL13434101 0.68 HTR1A (0.74) AOC3HTR1AADRA1DADRA1AADRA1B

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 AOC3 3121/4885HTR1A 187/4885ADRA1D 503/4885

“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.