SCHEMBL484976

SCHEMBL484976

CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)C(F)(F)F)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.49
HDAC2 Q92769 2/20 0.47
ACACB O00763 5/20 0.46
SCD5 Q86SK9 1/20 0.45
EPHX2 P34913 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.42
RORC P51449 4/20 0.41
GPR183 P32249 1/20 0.41
MGLL Q99685 1/20 0.40
HSD11B1 P28845 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
SCHEMBL6868004 0.89 CYP11B2 (0.54) CYP11B2HDAC2ACACBSCD5EPHX2
SCHEMBL23906185 0.85 CYP11B2 (0.52) CYP11B2HDAC2ACACBSCD5USP2
SCHEMBL25275679 0.85 CYP11B2 (0.52) CYP11B2HDAC2ACACBSCD5USP2
SCHEMBL4271629 0.84 CYP11B2 (0.51) CYP11B2HDAC2ACACBSCD5USP2
SCHEMBL18711501 0.84 CYP11B2 (0.48) CYP11B2HDAC2ACACBSCD5USP2
SCHEMBL24112531 0.84 CYP11B2 (0.51) CYP11B2HDAC2ACACBSCD5USP2
SCHEMBL18390155 0.84 CYP11B2 (0.51) CYP11B2HDAC2ACACBSCD5USP2
SCHEMBL693172 0.83 USP2 (0.55) EPHX2USP2SMN1; SMN2
SCHEMBL31042678 0.83 USP2 (0.47) CYP11B2HDAC2EPHX2USP2SMN1; SMN2
SCHEMBL18701811 0.83 ACACB (0.46) CYP11B2HDAC2ACACBSCD5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885HDAC2 893/4885ACACB 4258/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885HDAC2 893/4885ACACB 4258/4885

“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.