SCHEMBL484814

SCHEMBL484814

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)Nc5c(Cl)cccc5Cl)CC4)CC3)cc21)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.46
TAS1R1 Q7RTX1 5/20 0.46
TAS1R2 Q8TE23 4/20 0.46
ALDH1A1 P00352 1/20 0.45
SPTLC2 O15270 6/20 0.43
CYP3A4 P08684 3/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 1/20 0.42
CTSS P25774 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ACKR3 P25106 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL484828 0.90 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484356 0.88 ALDH1A1 (0.48) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484992 0.88 ALDH1A1 (0.46) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL2815468 0.87 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484792 0.87 CYP3A4 (0.55) ALDH1A1CYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL484789 0.87 CYP3A4 (0.43) TAS1R3TAS1R1TAS1R2ALDH1A1CYP3A4
SCHEMBL484606 0.87 CTSS (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484657 0.86 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484543 0.86 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2ALDH1A1SPTLC2
SCHEMBL484596 0.85 ALDH1A1 (0.45) 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 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 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.