SCHEMBL484416

SCHEMBL484416

COc1ccc(S(=O)(=O)N[C@@H]2CCc3ccc(C(=O)N4CCC5(CCN(c6ccncc6)CC5)C4)cc32)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.50
CYP2D6 P10635 5/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 5/20 0.47
TSHR P16473 5/20 0.47
MAPK1 P28482 1/20 0.47
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
ALDH1A1 P00352 6/20 0.40
HIF1A Q16665 3/20 0.40
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GAA P10253 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
SCHEMBL2821776 0.92 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484309 0.91 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2815767 0.90 CYP2C9 (0.42) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL485280 0.87 CYP3A4 (0.48) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484376 0.87 CYP3A4 (0.48) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484263 0.87 CYP3A4 (0.52) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484218 0.87 CYP3A4 (0.55) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484403 0.86 CYP3A4 (0.52) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484100 0.85 CYP3A4 (0.45) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2821907 0.84 BDKRB1 (0.43) CYP3A4CYP2D6CYP1A2CYP2C9TSHR

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 14 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 3781/4885CYP2D6 1926/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2D6 1926/4885CYP1A2 3400/4885

“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.