SCHEMBL484533

SCHEMBL484533

O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC3)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
CYP3A4 P08684 13/20 0.41
USP2 O75604 11/20 0.41
CYP1A2 P05177 8/20 0.41
TSHR P16473 5/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 2/20 0.40
CYP2C9 P11712 3/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL484803 0.92 EPHX2 (0.43) EPHX2CYP3A4USP2CYP1A2TSHR
SCHEMBL484661 0.90 EPHX2 (0.39) EPHX2CYP3A4USP2CYP1A2TSHR
SCHEMBL484408 0.90 EPHX2 (0.39) EPHX2CYP3A4USP2CYP1A2TSHR
SCHEMBL484624 0.87 CYP3A4 (0.49) CYP3A4USP2CYP1A2TSHRMAPK1
SCHEMBL485749 0.86 HSD11B1 (0.43) EPHX2CYP3A4USP2CYP1A2TSHR
SCHEMBL2816354 0.86 KDM4E (0.41) EPHX2CYP3A4USP2CYP1A2TSHR
SCHEMBL486049 0.86 HSD11B1 (0.39) EPHX2
SCHEMBL484380 0.85 HSD11B1 (0.40) EPHX2CYP3A4USP2CYP1A2TSHR
SCHEMBL484642 0.85 EPHX2 (0.39) EPHX2USP2TSHRSMN1; SMN2
SCHEMBL2818607 0.85 NAMPT (0.42) NAMPT

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 905/4885CYP3A4 3781/4885USP2 4864/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN EPHX2 905/4885CYP3A4 3781/4885USP2 4864/4885

“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.