SCHEMBL4228161

SCHEMBL4228161

O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccc(Cl)cc21

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.76
HDAC8 Q9BY41 10/20 0.69
HDAC6 Q9UBN7 10/20 0.69
HDAC3 O15379 9/20 0.69
HDAC4 P56524 9/20 0.69
HDAC1 Q13547 9/20 0.69
HDAC7 Q8WUI4 9/20 0.69
HDAC2 Q92769 9/20 0.69
HDAC10 Q969S8 9/20 0.69
HDAC11 Q96DB2 9/20 0.69
HDAC9 Q9UKV0 9/20 0.69
HDAC5 Q9UQL6 9/20 0.69
KCNH2 Q12809 2/20 0.63
DRD2 P14416 1/20 0.51
ACACB O00763 1/20 0.50
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL12017852 0.87 SIGMAR1 (0.74) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1175467 0.87 SIGMAR1 (0.74) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL4270067 0.87 SIGMAR1 (1.00) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8185938 0.86 SIGMAR1 (0.84) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL11176916 0.83 DRD2 (0.62) SIGMAR1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL10503101 0.82 DRD2 (0.61) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1176274 0.81 HDAC3 (0.83) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1176271 0.81 HDAC3 (0.83) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL863907 0.81 SIGMAR1 (0.59) SIGMAR1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8565758 0.80 SIGMAR1 (0.63) SIGMAR1HDAC8HDAC6HDAC3HDAC4

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 21 patents — showing the first 20. 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
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
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 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
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
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 US disclosed
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 US disclosed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
US-6660740-B1 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-12-09 US disclosed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 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 (5 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 SIGMAR1 238/4885HDAC8 1629/4885HDAC6 697/4885
US-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SIGMAR1 2062/4885HDAC8 2683/4885HDAC6 1448/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 SIGMAR1 194/4885HDAC8 1569/4885HDAC6 690/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SIGMAR1 2002/4885HDAC8 2707/4885HDAC6 1545/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SIGMAR1 2002/4885HDAC8 2707/4885HDAC6 1545/4885

“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.