SCHEMBL17535948

SCHEMBL17535948

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PIK3CA P42336 1/20 0.39
PDE4B Q07343 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL17535482 0.91 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPK1LMNACACNA1F
SCHEMBL17535549 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1LMNAMEN1
SCHEMBL17535855 0.79 HTT (0.45) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL16624215 0.78 ALOX15 (0.44) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL16624217 0.78 ALOX15 (0.41) ALDH1A1SMN1; SMN2GAAMAPK1LMNA
SCHEMBL17535965 0.77 KDM4E (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL16055190 0.76 PIK3CA (0.60) ALDH1A1SMN1; SMN2GAALMNAPIK3CA
SCHEMBL19820898 0.75 NPC1 (0.43) ALDH1A1GAALMNAPIK3CAMEN1
SCHEMBL15681637 0.73 NPC1 (0.48) ALDH1A1SMN1; SMN2MAPK1LMNAPIK3CA
SCHEMBL16055031 0.73 CA12 (0.46) ALDH1A1SMN1; SMN2GAAMAPK1LMNA

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 2449/4885SMN1; SMN2 1672/4885GAA 3930/4885

“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.