SCHEMBL484897

SCHEMBL484897

COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(N(C(=O)c2ccccc2Cl)C2CC2)CC4)C3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.40
KCNH2 Q12809 2/20 0.40
ATM Q13315 1/20 0.39
DOCK5 Q9H7D0 1/20 0.39
CYP2D6 P10635 8/20 0.38
TSHR P16473 5/20 0.38
USP2 O75604 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 6/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL484967 0.93 CCR8 (0.41) CCR8KCNH2ATMDOCK5CYP2D6
SCHEMBL484434 0.92 CYP2D6 (0.39) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL484672 0.90 CYP2D6 (0.42) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL484872 0.87 CYP2D6 (0.39) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL485288 0.86 CYP2D6 (0.40) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL2820483 0.86 CYP2D6 (0.38) CYP2D6TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL484643 0.85 CYP3A4 (0.46) CYP2D6TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL484310 0.85 CYP2D6 (0.42) CCR8KCNH2CYP2D6TSHRUSP2
SCHEMBL485626 0.85 SPTLC2 (0.45) CCR8KCNH2ATMCYP2D6TSHR
SCHEMBL484397 0.85 CYP2D6 (0.39) CCR8KCNH2CYP2D6TSHRUSP2

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
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-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 CCR8 388/4885KCNH2 257/4885ATM 1414/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CCR8 388/4885KCNH2 257/4885ATM 1414/4885

“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.