SCHEMBL485556

SCHEMBL485556

CC(C)(C)CC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.34
EPHX2 P34913 1/20 0.34
PDK2 Q15119 5/20 0.33
CYP3A4 P08684 3/20 0.33
KMT2A Q03164 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
AR P10275 1/20 0.33
USP2 O75604 3/20 0.32
SLC9A1 P19634 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL484378 0.91 TSHR (0.35) HSD11B1EPHX2PDK2CYP3A4AR
SCHEMBL486049 0.88 HSD11B1 (0.39) HSD11B1EPHX2PDK2
SCHEMBL2818607 0.87 NAMPT (0.42) HSD11B1
SCHEMBL484802 0.85 CYP2C19 (0.35) HSD11B1EPHX2PDK2KMT2AAR
SCHEMBL484597 0.85 VNN1 (0.34) HSD11B1EPHX2PDK2CYP3A4AR
SCHEMBL484661 0.84 EPHX2 (0.39) HSD11B1EPHX2CYP3A4USP2CYP1A2
SCHEMBL484822 0.84 ENPP2 (0.41) HSD11B1EPHX2KMT2A
SCHEMBL484872 0.84 CYP2D6 (0.39) EPHX2CYP3A4KMT2AUSP2CYP1A2
SCHEMBL485749 0.84 HSD11B1 (0.43) HSD11B1EPHX2CYP3A4KMT2AUSP2
SCHEMBL484808 0.84 BDKRB1 (0.43) CYP3A4KMT2AARUSP2CYP1A2

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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 HSD11B1 1789/4885EPHX2 905/4885PDK2 1271/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885EPHX2 905/4885PDK2 1271/4885

“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.