SCHEMBL485242

SCHEMBL485242

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.51
TSHR P16473 5/20 0.45
HIF1A Q16665 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 1/20 0.45
SCD5 Q86SK9 1/20 0.45
HDAC2 Q92769 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
ACACB O00763 3/20 0.43
CYP2C9 P11712 4/20 0.42
PDK2 Q15119 1/20 0.42
USP2 O75604 1/20 0.42
PARP1 P09874 1/20 0.41
EIF2AK4 Q9P2K8 1/20 0.41
RET P07949 1/20 0.41
RORC P51449 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL30328547 0.95 CYP11B2 (0.48) CYP11B2TSHRHIF1ACYP3A4CYP2D6
SCHEMBL20468954 0.95 CYP11B2 (0.48) CYP11B2TSHRHIF1ACYP3A4CYP2D6
SCHEMBL30327967 0.94 CYP2C9 (0.47) CYP11B2TSHRHIF1ACYP3A4CYP2D6
SCHEMBL30328063 0.94 CYP3A4 (0.47) CYP11B2TSHRHIF1ACYP3A4CYP2D6
SCHEMBL30328589 0.94 HIF1A (0.50) CYP11B2TSHRHIF1ACYP3A4CYP2D6
SCHEMBL30329197 0.88 EIF2AK4 (0.49) CYP11B2TSHRHIF1ACYP3A4CYP2D6
SCHEMBL30328283 0.86 EIF2AK4 (0.53) TSHRHIF1ACYP3A4CYP2D6CYP1A2
SCHEMBL8511634 0.85 CYP11B2 (0.53) CYP11B2TSHRHIF1ACYP3A4CYP2D6
SCHEMBL484906 0.85 CYP3A4 (0.50) TSHRHIF1ACYP3A4CYP2D6CYP1A2
SCHEMBL484102 0.82 HIF1A (0.63) CYP11B2TSHRHIF1ACYP3A4CYP2D6

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 CYP11B2 2150/4885TSHR 338/4885HIF1A 1157/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885TSHR 338/4885HIF1A 1157/4885

“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.