SCHEMBL485226

SCHEMBL485226

Cc1cc(C(=O)N2CCC3(CCN(C(=O)c4ccc5c(c4)C(NC(=O)c4ccccc4Cl)CC5)CC3)CC2)n(C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TAS1R3 Q7RTX0 5/20 0.39
TAS1R1 Q7RTX1 5/20 0.39
TAS1R2 Q8TE23 4/20 0.39
SPTLC2 O15270 8/20 0.39
GAA P10253 1/20 0.39
NAMPT P43490 1/20 0.37
WDR5 P61964 1/20 0.37
SPR P35270 1/20 0.35
SPTLC3 Q9NUV7 1/20 0.35
DDR1 Q08345 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
SCHEMBL484655 0.96 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL485025 0.85 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL2819030 0.84 NAMPT (0.37) ALDH1A1TAS1R3TAS1R1GAANAMPT
SCHEMBL484384 0.83 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484356 0.83 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484315 0.82 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484448 0.82 WDR5 (0.39) ALDH1A1NAMPTWDR5
SCHEMBL485797 0.82 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL2815468 0.82 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484965 0.81 ALDH1A1 (0.44) 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 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
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO 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 ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885

“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.