SCHEMBL484588

SCHEMBL484588

CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)c5cc(C(C)(C)C)nn5C)CC4)C3)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.35
NAMPT P43490 1/20 0.35
AR P10275 3/20 0.32
EPHX2 P34913 2/20 0.32
HSD11B1 P28845 1/20 0.32
SPR P35270 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4B Q07343 1/20 0.31
NAA50 Q9GZZ1 3/20 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
SCHEMBL484597 0.92 VNN1 (0.34) VNN1NAMPTAREPHX2HSD11B1
SCHEMBL485797 0.85 ALDH1A1 (0.39) NAMPTEPHX2
SCHEMBL484378 0.85 TSHR (0.35) AREPHX2HSD11B1SPRMAPK1
SCHEMBL484855 0.84 HRH3 (0.39) ARHSD11B1SPRHPGDTSHR
SCHEMBL2816878 0.83 NAMPT (0.43) NAMPTHPGDTSHR
SCHEMBL484273 0.82 HSD11B1 (0.44) EPHX2HSD11B1MAPK1TSHRCYP2C9
SCHEMBL485025 0.81 ALDH1A1 (0.40) NAMPTEPHX2
SCHEMBL484314 0.81 CYP3A4 (0.44) ARTSHRCYP2C9CYP2C19
SCHEMBL484487 0.81 CYP2C9 (0.47) MAPK1TSHRCYP2C9CYP2C19
SCHEMBL484603 0.79 HSD11B1 (0.43) HSD11B1TSHR

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 2232/4885AR 219/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN VNN1 3358/4885NAMPT 2232/4885AR 219/4885

“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.