SCHEMBL4221973

SCHEMBL4221973

COC(=O)c1cc(C)ccc1OC[C@@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
VDR P11473 1/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
RAB9A P51151 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NR4A2 P43354 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 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
SCHEMBL4218041 0.89 MAPT (0.47) MAPTNPSR1HTTHSP90AA1ALDH1A1
SCHEMBL11217801 0.86 ABCB1 (0.49) MAPTHTTALDH1A1GLAVDR
SCHEMBL13229845 0.85 LMNA (0.46) ALDH1A1GLARAB9ALMNANPC1
SCHEMBL11581741 0.84 KDM4E (0.48) MAPTNPSR1HTTALDH1A1GLA
SCHEMBL6216333 0.82 ALDH1A1 (0.58) MAPTNPSR1HTTHSP90AA1ALDH1A1
SCHEMBL4211931 0.82 ALDH1A1 (0.58) MAPTNPSR1HTTHSP90AA1ALDH1A1
SCHEMBL20870201 0.81 RORC (0.46) MAPTNPSR1HTTHSP90AA1CYP46A1
SCHEMBL7968232 0.81 ABCB1 (0.51) NPSR1ALDH1A1GLAGAATP53
SCHEMBL7968234 0.81 ABCB1 (0.51) NPSR1ALDH1A1GLAGAATP53
SCHEMBL7968230 0.81 ABCB1 (0.51) NPSR1ALDH1A1GLAGAATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO 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 (2 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 MAPT 4171/4885NPSR1 51/4885HTT 1983/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 MAPT 4115/4885NPSR1 44/4885HTT 2011/4885

“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.