SCHEMBL17536007

SCHEMBL17536007

COC(=O)c1cc(C2CC2)c(-c2ccc(F)cc2)c(I)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.44
SLC6A4 P31645 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IKBKB O14920 1/20 0.36
PDK2 Q15119 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
SCHEMBL17535817 0.86 SLC6A3 (0.44) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL16055659 0.86 SLC6A3 (0.44) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL17535828 0.83 SLC6A4 (0.40) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL17535715 0.78 SSTR5 (0.44) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL16056071 0.77 SLC6A3 (0.51) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL17535520 0.75 SSTR5 (0.45) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL16616292 0.74 SLC6A3 (0.40) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL17535388 0.74 SLC6A4 (0.40) SLC6A3SLC6A4SMN1; SMN2NPC1CASP3
SCHEMBL17535705 0.74 SSTR5 (0.46) SLC6A3SLC6A4
SCHEMBL16616031 0.74 ALPL (0.40) SLC6A3SLC6A4CYP11B1CYP11B2PDK2

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 SLC6A3 143/4885SLC6A4 88/4885SMN1; SMN2 1672/4885

“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.