SCHEMBL485025

SCHEMBL485025

Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CCN(C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SPTLC2 O15270 8/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 2/20 0.39
NAMPT P43490 1/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
SPTLC3 Q9NUV7 1/20 0.35
EPHX2 P34913 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
SCHEMBL485797 0.96 ALDH1A1 (0.39) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL485226 0.85 ALDH1A1 (0.40) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484384 0.85 TAS1R3 (0.44) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL2817890 0.84 NAMPT (0.38) TAS1R3TAS1R1NAMPTMAPK13MAPK12
SCHEMBL484356 0.83 ALDH1A1 (0.48) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484965 0.82 ALDH1A1 (0.44) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484655 0.82 ALDH1A1 (0.39) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL2815468 0.82 ALDH1A1 (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484411 0.82 ALDH1A1 (0.43) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL484588 0.81 VNN1 (0.35) NAMPTEPHX2

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 8 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
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 2086/4885SPTLC2 3707/4885TAS1R3 339/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885SPTLC2 3707/4885TAS1R3 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.