SCHEMBL484328

SCHEMBL484328

O=C(NC1CCc2ccc(CC(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ECE2 P0DPD6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACKR3 P25106 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
RIPK1 Q13546 1/20 0.36
MCHR1 Q99705 1/20 0.36
CHRM2 P08172 3/20 0.36
GHSR Q92847 3/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
CDK9 P50750 1/20 0.36
BDKRB1 P46663 1/20 0.35
HSD11B1 P28845 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
SCHEMBL484562 0.93 CCR3 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1ACKR3
SCHEMBL484785 0.90 ACKR3 (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1ACKR3
SCHEMBL485370 0.87 CYP3A4 (0.45) TAS1R3TAS1R1TAS1R2ALDH1A1RIPK1
SCHEMBL2816651 0.85 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2ALDH1A1KCNH2
SCHEMBL485317 0.85 ACKR3 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1ACKR3
SCHEMBL484791 0.84 ALDH1A1 (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1HSD11B1
SCHEMBL484931 0.84 ITGB3 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1RIPK1
SCHEMBL484714 0.84 CCR3 (0.44) TAS1R3TAS1R1TAS1R2ACKR3MCHR1
SCHEMBL484518 0.83 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1KCNH2
SCHEMBL484557 0.82 CYP2D6 (0.41) TAS1R3TAS1R1TAS1R2ACKR3RIPK1

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 9 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
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 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.