SCHEMBL484582

SCHEMBL484582

O=C(c1ccc2c(c1)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)CC2)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.42
TSHR P16473 4/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 4/20 0.41
HSD17B10 Q99714 1/20 0.41
BDKRB1 P46663 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
HIF1A Q16665 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
AR P10275 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL485611 1.00 CYP3A4 (0.42) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL484409 0.92 BDKRB1 (0.43) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL2821907 0.92 BDKRB1 (0.43) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL485071 0.90 BDKRB1 (0.45) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL2818609 0.89 CYP2C9 (0.44) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL485576 0.89 CYP3A4 (0.43) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL484254 0.89 CYP2C9 (0.45) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL2819031 0.88 BDKRB1 (0.46) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL485019 0.88 BDKRB1 (0.46) CYP3A4TSHRCYP2C19CYP2C9HSD17B10
SCHEMBL2819935 0.87 BDKRB1 (0.42) CYP3A4TSHRCYP2C19CYP2C9HSD17B10

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 CYP3A4 3781/4885TSHR 338/4885CYP2C19 2325/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885TSHR 338/4885CYP2C19 2325/4885

“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.