SCHEMBL17535828

SCHEMBL17535828

CCOc1c(C(=O)OC)cc(C2CC2)c(-c2ccc(F)cc2)c1I

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SSTR5 P35346 13/20 0.38
KCNH2 Q12809 2/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GSK3B P49841 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL17535520 0.88 SSTR5 (0.45) SLC6A4SLC6A3SSTR5KCNH2PTGDR
SCHEMBL17535705 0.87 SSTR5 (0.46) SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL17535388 0.87 SLC6A4 (0.40) SLC6A4SLC6A3SSTR5KCNH2PTGDR
SCHEMBL17536007 0.83 SLC6A3 (0.44) SLC6A4SLC6A3PTGDRPTGDR2CYP1A2
SCHEMBL17535376 0.79 SSTR5 (0.37) SSTR5KCNH2PTGDRPTGDR2
SCHEMBL17535715 0.78 SSTR5 (0.44) SLC6A4SLC6A3SSTR5NPC1CASP3
SCHEMBL23459274 0.77 SLC6A3 (0.46) SLC6A4SLC6A3SSTR5KCNH2PTGDR
SCHEMBL17535469 0.76 SSTR5 (0.37) SLC6A3SSTR5KCNH2NPC1RAB9A
SCHEMBL16056323 0.76 SSTR5 (0.37) SSTR5KCNH2PTGDRPTGDR2MAPK14
SCHEMBL16616292 0.74 SLC6A3 (0.40) SLC6A4SLC6A3SSTR5CYP2C19NPC1

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 SLC6A4 88/4885SLC6A3 143/4885SSTR5 1/4885

“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.