SCHEMBL485626

SCHEMBL485626

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 8/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MCHR1 Q99705 1/20 0.40
CCR3 P51677 1/20 0.40
ATM Q13315 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SPTLC3 Q9NUV7 1/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL484793 0.92 ACKR3 (0.42) SPTLC2TAS1R3TAS1R1CCR8KCNH2
SCHEMBL2816342 0.91 MCHR1 (0.44) SPTLC2TAS1R3TAS1R1CCR8KCNH2
SCHEMBL2818005 0.90 MRGPRX4 (0.42) TAS1R3TAS1R1MCHR1PDE4APDE4B
SCHEMBL484425 0.90 ACHE (0.46) SPTLC2TAS1R3TAS1R1CCR8KCNH2
SCHEMBL485418 0.88 TAS1R3 (0.39) TAS1R3TAS1R1CCR8KCNH2HCRTR1
SCHEMBL484506 0.88 CYP2D6 (0.45) SPTLC2TAS1R3TAS1R1CCR8KCNH2
SCHEMBL484383 0.87 CCR8 (0.45) TAS1R3TAS1R1CCR8KCNH2HCRTR1
SCHEMBL485376 0.87 CCR8 (0.46) SPTLC2TAS1R3TAS1R1CCR8KCNH2
SCHEMBL484967 0.87 CCR8 (0.41) CCR8KCNH2ATMCYP2D6TSHR
SCHEMBL2818073 0.86 CYP3A4 (0.45) TAS1R3TAS1R1CCR8KCNH2MCHR1

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 SPTLC2 3707/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SPTLC2 3707/4885TAS1R3 339/4885TAS1R1 107/4885

“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.