SCHEMBL17535482

SCHEMBL17535482

CCOC(=O)c1cc(OCOC)c(N2CCCCC2)c(C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 1/20 0.38
OPRK1 P41145 2/20 0.38
LMNA P02545 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
TP53 P04637 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PIK3CA P42336 1/20 0.36
PDE4B Q07343 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL17535948 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1LMNACACNA1FCACNA1D
SCHEMBL17535549 0.82 ALDH1A1 (0.44) ALDH1A1MAPK1LMNANPC1RAB9A
SCHEMBL17535631 0.81 CA12 (0.40) ALDH1A1LMNATP53RAB9AKMT2A
SCHEMBL17535713 0.80 ALOX15 (0.40) ALDH1A1LMNATP53NPC1RAB9A
SCHEMBL17535858 0.74 SSTR5 (0.40) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL19820898 0.72 NPC1 (0.43) ALDH1A1LMNATP53NPC1RAB9A
SCHEMBL17535855 0.71 HTT (0.45) ALDH1A1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL15681637 0.70 NPC1 (0.48) ALDH1A1MAPK1LMNATP53NPC1
SCHEMBL16624215 0.70 ALOX15 (0.44) ALDH1A1MAPK1LMNATP53NPC1
SCHEMBL16624217 0.70 ALOX15 (0.41) ALDH1A1MAPK1LMNATP53NPC1

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 ALDH1A1 2449/4885MAPK1 379/4885OPRK1 1046/4885

“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.