SCHEMBL485641

SCHEMBL485641

Cc1nc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)C3)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DDR1 Q08345 1/20 0.37
SPTLC2 O15270 7/20 0.37
WDR5 P61964 2/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
SPR P35270 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL485415 0.96 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1DDR1
SCHEMBL484835 0.91 DDR1 (0.39) TAS1R3TAS1R1TAS1R2DDR1WDR5
SCHEMBL484639 0.89 EPHX2 (0.37) ALDH1A1DDR1HTR1AACKR3
SCHEMBL484796 0.87 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1DDR1
SCHEMBL2820583 0.85 CYP3A4 (0.39) ALDH1A1WDR5
SCHEMBL485063 0.85 CYP2C9 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484744 0.85 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484848 0.84 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1DDR1
SCHEMBL485069 0.84 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484795 0.84 SPTLC2 (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2

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 TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885

“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.