SCHEMBL484597

SCHEMBL484597

Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CCN(C(=O)c3ccc4c(c3)C(N(C(=O)c3ccccc3Cl)C3CC3)CC4)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.34
NAMPT P43490 1/20 0.34
EPHX2 P34913 2/20 0.33
HSD11B1 P28845 2/20 0.33
SPTLC2 O15270 1/20 0.33
CYP3A4 P08684 1/20 0.32
NAA50 Q9GZZ1 3/20 0.32
AR P10275 2/20 0.32
PDK2 Q15119 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL484588 0.92 VNN1 (0.35) VNN1NAMPTEPHX2HSD11B1NAA50
SCHEMBL485556 0.85 HSD11B1 (0.34) EPHX2HSD11B1CYP3A4ARPDK2
SCHEMBL485797 0.84 ALDH1A1 (0.39) NAMPTEPHX2SPTLC2
SCHEMBL486049 0.83 HSD11B1 (0.39) EPHX2HSD11B1PDK2
SCHEMBL2818607 0.83 NAMPT (0.42) NAMPTHSD11B1
SCHEMBL484277 0.81 CYP2C9 (0.45) CYP3A4HIF1A
SCHEMBL485749 0.81 HSD11B1 (0.43) EPHX2HSD11B1CYP3A4HIF1A
SCHEMBL484808 0.81 BDKRB1 (0.43) CYP3A4ARHIF1A
SCHEMBL484380 0.80 HSD11B1 (0.40) NAMPTEPHX2HSD11B1CYP3A4HIF1A
SCHEMBL485025 0.80 ALDH1A1 (0.40) NAMPTEPHX2SPTLC2

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 8 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 claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
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 VNN1 3358/4885NAMPT 2232/4885EPHX2 905/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN VNN1 3358/4885NAMPT 2232/4885EPHX2 905/4885

“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.