SCHEMBL484967

SCHEMBL484967

COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(N(C)C(=O)c2ccccc2Cl)CC4)C3)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 11/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
DOCK5 Q9H7D0 1/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL484897 0.93 CCR8 (0.40) CCR8KCNH2CYP2D6ATMALDH1A1
SCHEMBL484310 0.93 CYP2D6 (0.42) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL484684 0.87 CYP2D6 (0.43) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL485626 0.87 SPTLC2 (0.45) CCR8KCNH2CYP2D6ATMTSHR
SCHEMBL2819053 0.86 CYP2D6 (0.41) CYP2D6ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL485066 0.86 MCHR1 (0.38) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL485006 0.86 CYP2D6 (0.42) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL484434 0.84 CYP2D6 (0.39) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL484818 0.84 CYP3A4 (0.44) CCR8KCNH2CYP2D6ALDH1A1CYP3A4
SCHEMBL484672 0.83 CYP2D6 (0.42) CCR8KCNH2CYP2D6ALDH1A1CYP3A4

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 CCR8 388/4885KCNH2 257/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CCR8 388/4885KCNH2 257/4885CYP2D6 1926/4885

“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.