SCHEMBL484383

SCHEMBL484383

COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2c(F)cccc2Cl)CC4)CC3)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.45
KCNH2 Q12809 3/20 0.45
CYP2D6 P10635 6/20 0.45
MAPK1 P28482 1/20 0.43
ACHE P22303 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41
ACKR3 P25106 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL2817754 0.92 CYP2D6 (0.47) CCR8KCNH2CYP2D6MAPK1CYP3A4
SCHEMBL485201 0.91 CYP2D6 (0.48) CCR8KCNH2CYP2D6MAPK1ACHE
SCHEMBL485376 0.88 CCR8 (0.46) CCR8KCNH2CYP2D6TAS1R3TAS1R1
SCHEMBL485299 0.87 CYP3A4 (0.57) CCR8KCNH2CYP2D6MAPK1CYP3A4
SCHEMBL485626 0.87 SPTLC2 (0.45) CCR8KCNH2CYP2D6ACHETAS1R3
SCHEMBL2817018 0.87 CYP2D6 (0.45) CCR8KCNH2CYP2D6MAPK1ACHE
SCHEMBL484547 0.86 CYP2D6 (0.45) CYP2D6MAPK1ACHETAS1R3TAS1R1
SCHEMBL484722 0.86 CYP3A4 (0.51) CCR8KCNH2CYP2D6MAPK1CYP3A4
SCHEMBL2818073 0.86 CYP3A4 (0.45) CCR8KCNH2CYP2D6TAS1R3TAS1R1
SCHEMBL485050 0.85 CYP2D6 (0.47) CCR8KCNH2CYP2D6MAPK1CYP3A4

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 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.