SCHEMBL485576

SCHEMBL485576

O=C(c1ccc2c(c1)C(NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)CC2)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.43
TSHR P16473 4/20 0.43
BDKRB1 P46663 1/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 4/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 2/20 0.41
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
AR P10275 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL2819031 0.94 BDKRB1 (0.46) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL485019 0.94 BDKRB1 (0.46) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL484556 0.92 CYP3A4 (0.49) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL484338 0.91 CYP2C9 (0.47) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL484582 0.89 CYP3A4 (0.42) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL485611 0.89 CYP3A4 (0.42) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL2816340 0.89 BDKRB1 (0.51) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL484409 0.89 BDKRB1 (0.43) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL2821907 0.89 BDKRB1 (0.43) CYP3A4TSHRBDKRB1CYP2C19CYP2C9
SCHEMBL485071 0.88 BDKRB1 (0.45) CYP3A4TSHRBDKRB1CYP2C19CYP2C9

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 CYP3A4 3781/4885TSHR 338/4885BDKRB1 1/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885TSHR 338/4885BDKRB1 1/4885

“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.