SCHEMBL484872

SCHEMBL484872

O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(Cc3c(F)cccc3F)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 8/20 0.38
CYP1A2 P05177 3/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 6/20 0.37
TSHR P16473 3/20 0.37
RECQL P46063 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM3 P20309 2/20 0.35
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2820483 0.99 CYP2D6 (0.38) CYP2D6MAPK1CYP3A4CYP1A2HPGD
SCHEMBL484672 0.95 CYP2D6 (0.42) CYP2D6MAPK1CYP3A4CYP1A2USP2
SCHEMBL484434 0.91 CYP2D6 (0.39) CYP2D6MAPK1CYP3A4CYP1A2HPGD
SCHEMBL484397 0.90 CYP2D6 (0.39) CYP2D6MAPK1CYP3A4CYP1A2HPGD
SCHEMBL485288 0.90 CYP2D6 (0.40) CYP2D6MAPK1CYP3A4CYP1A2HPGD
SCHEMBL2819053 0.90 CYP2D6 (0.41) CYP2D6MAPK1CYP3A4CYP1A2HPGD
SCHEMBL2816549 0.89 CYP2D6 (0.39) CYP2D6MAPK1CYP3A4CYP1A2HPGD
SCHEMBL484897 0.87 CCR8 (0.40) CYP2D6MAPK1CYP3A4CYP1A2HPGD
SCHEMBL484769 0.86 CYP2D6 (0.36) CYP2D6MAPK1CYP3A4CYP1A2USP2
SCHEMBL484643 0.86 CYP3A4 (0.46) CYP2D6MAPK1CYP3A4CYP1A2HPGD

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 1926/4885MAPK1 1001/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2D6 1926/4885MAPK1 1001/4885CYP3A4 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.