SCHEMBL484612

SCHEMBL484612

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccnc6c(C(F)(F)F)cccc56)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 2/20 0.38
NCF1 P14598 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
PROKR1 Q8TCW9 6/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC9A1 P19634 1/20 0.35
WDR5 P61964 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RBP4 P02753 1/20 0.34
CCR2 P41597 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL2816375 0.84 ALDH1A1 (0.38) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL485178 0.83 ALDH1A1 (0.38) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484531 0.83 MEN1 (0.50) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484410 0.83 HCRTR1 (0.42) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL485067 0.82 ALDH1A1 (0.45) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484909 0.82 WDR5 (0.41) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484724 0.82 CYP3A4 (0.43) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484177 0.81 HSD17B10 (0.45) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2816150 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL2815777 0.81 BDKRB1 (0.45) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1

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 16 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 SPTLC2 3707/4885NCF1 2924/4885TAS1R3 339/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SPTLC2 3707/4885NCF1 2924/4885TAS1R3 339/4885

“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.