SCHEMBL484568

SCHEMBL484568

CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.77
CYP2C19 P33261 8/20 0.77
HIF1A Q16665 5/20 0.77
ALDH1A1 P00352 2/20 0.77
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
CYP2C9 P11712 9/20 0.67
CYP2D6 P10635 7/20 0.67
TSHR P16473 4/20 0.67
CYP1A2 P05177 4/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 2/20 0.62
USP2 O75604 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL484571 0.94 CYP3A4 (0.70) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL485072 0.94 CYP3A4 (0.67) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL485227 0.91 CYP3A4 (0.71) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL485459 0.90 CYP3A4 (0.77) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL485435 0.89 HIF1A (0.67) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL30042024 0.88 CYP3A4 (0.67) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL484946 0.88 CYP3A4 (0.60) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL38662223 0.87 CYP3A4 (0.62) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL484102 0.87 HIF1A (0.63) CYP3A4CYP2C19HIF1AALDH1A1MEN1
SCHEMBL484823 0.87 HIF1A (0.74) CYP3A4CYP2C19HIF1AALDH1A1MEN1

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 CYP3A4 3781/4885CYP2C19 2325/4885HIF1A 1157/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2C19 2325/4885HIF1A 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.