SCHEMBL484642

SCHEMBL484642

O=C(NC1CCCCC1)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
CNR1 P21554 8/20 0.36
CNR2 P34972 4/20 0.36
HSD11B1 P28845 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL484661 0.88 EPHX2 (0.39) EPHX2HSD11B1USP2TSHR
SCHEMBL486049 0.87 HSD11B1 (0.39) EPHX2HSD11B1
SCHEMBL2818607 0.86 NAMPT (0.42) HSD11B1
SCHEMBL484822 0.86 ENPP2 (0.41) EPHX2SMN1; SMN2LMNAHTTPOLB
SCHEMBL484802 0.86 CYP2C19 (0.35) EPHX2CNR1CNR2HSD11B1
SCHEMBL484533 0.85 EPHX2 (0.42) EPHX2SMN1; SMN2USP2TSHR
SCHEMBL484803 0.84 EPHX2 (0.43) EPHX2LMNAUSP2TSHR
SCHEMBL485927 0.84 HRH3 (0.40) EPHX2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL484408 0.84 EPHX2 (0.39) EPHX2SMN1; SMN2HTTPOLBUSP2
SCHEMBL2816354 0.83 KDM4E (0.41) EPHX2USP2TSHRRAB9A

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 10 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
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 EPHX2 905/4885SMN1; SMN2 3545/4885ALDH1A1 2086/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN EPHX2 905/4885SMN1; SMN2 3545/4885ALDH1A1 2086/4885

“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.