SCHEMBL484689

SCHEMBL484689

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)C3)cc21)c1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 7/20 0.42
DRD2 P14416 6/20 0.42
HTR2A P28223 6/20 0.42
KCNH2 Q12809 6/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
EPHX2 P34913 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 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
SCHEMBL485054 0.91 KCNH2 (0.42) CYP2D6CYP1A2CYP3A4HPGDHTR1A
SCHEMBL484617 0.91 DRD2 (0.42) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL485023 0.90 CYP2D6 (0.42) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL484646 0.88 TAS1R3 (0.43) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL484330 0.87 CYP2D6 (0.49) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL484637 0.86 RORC (0.38) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL2820289 0.86 NAMPT (0.44) EPHX2L3MBTL1
SCHEMBL484652 0.86 CYP2D6 (0.40) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL484363 0.85 CYP3A4 (0.53) CYP2D6CYP1A2CYP3A4HPGDMAPK1
SCHEMBL485064 0.85 CYP2D6 (0.41) CYP2D6CYP1A2CYP3A4HPGDMAPK1

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 CYP2D6 1926/4885CYP1A2 3400/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2D6 1926/4885CYP1A2 3400/4885CYP3A4 3781/4885

“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.