SCHEMBL484531

SCHEMBL484531

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ncccn5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 7/20 0.43
CYP2D6 P10635 8/20 0.42
CYP3A4 P08684 8/20 0.42
CYP1A2 P05177 7/20 0.42
CYP2C9 P11712 7/20 0.42
CYP2C19 P33261 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
HSD17B10 Q99714 5/20 0.41
USP2 O75604 3/20 0.41
CCR4 P51679 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
SPTLC2 O15270 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL484177 0.92 HSD17B10 (0.45) ALDH1A1CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL484410 0.90 HCRTR1 (0.42) MEN1KMT2AALDH1A1CYP2D6CYP3A4
SCHEMBL2815777 0.90 BDKRB1 (0.45) MEN1KMT2AALDH1A1CYP2D6CYP3A4
SCHEMBL484199 0.90 BDKRB1 (0.45) MEN1KMT2AALDH1A1CYP2D6CYP3A4
SCHEMBL2817400 0.90 BDKRB1 (0.45) MEN1KMT2AALDH1A1CYP2D6CYP3A4
SCHEMBL2820727 0.88 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484909 0.88 WDR5 (0.41) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL484447 0.88 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP2D6CYP3A4
SCHEMBL13131315 0.88 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP2D6CYP3A4
SCHEMBL484473 0.88 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2

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 MEN1 901/4885KMT2A 2136/4885ALDH1A1 2086/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MEN1 901/4885KMT2A 2136/4885ALDH1A1 2086/4885

“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.