SCHEMBL485607

SCHEMBL485607

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(F)cc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.58
CYP11B2 P19099 1/20 0.55
HDAC1 Q13547 1/20 0.53
RORC P51449 2/20 0.50
GPR119 Q8TDV5 7/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SCD5 Q86SK9 1/20 0.46
ACACB O00763 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL485724 0.92 MAPK1 (0.54) HDAC2HDAC1RORCGPR119ALDH1A1
SCHEMBL485220 0.88 CYP11B2 (0.53) HDAC2CYP11B2RORCGPR119ALDH1A1
SCHEMBL30769248 0.88 CYP11B2 (0.55) HDAC2CYP11B2RORCGPR119ALDH1A1
SCHEMBL484886 0.88 CYP11B2 (0.55) HDAC2CYP11B2GPR119ALDH1A1LMNA
SCHEMBL485392 0.86 CYP11B2 (0.54) CYP11B2GPR119ALDH1A1LMNAMAPT
SCHEMBL484102 0.85 HIF1A (0.63) CYP11B2ALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL484627 0.84 CYP11B2 (0.53) HDAC2CYP11B2GPR119ALDH1A1LMNA
SCHEMBL14471738 0.84 GPR119 (0.46) HDAC2HDAC1RORCGPR119ALDH1A1
SCHEMBL31498699 0.84 CYP11B2 (0.50) HDAC2CYP11B2HDAC1RORCGPR119
SCHEMBL30984960 0.83 MAPT (0.72) HDAC2CYP11B2GPR119ALDH1A1LMNA

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 5 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-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
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 HDAC2 893/4885CYP11B2 2150/4885HDAC1 554/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HDAC2 893/4885CYP11B2 2150/4885HDAC1 554/4885

“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.