SCHEMBL2819919

SCHEMBL2819919

COC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccccc1Cl)CCC2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
TAS1R3 Q7RTX0 10/20 0.59
TAS1R1 Q7RTX1 10/20 0.59
TAS1R2 Q8TE23 8/20 0.59
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL803557 1.00 ALDH1A1 (0.68) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL13131606 0.97 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL784965 0.94 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL484334 0.94 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL803549 0.94 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL785465 0.88 ALDH1A1 (0.72) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL2817561 0.88 ALDH1A1 (0.72) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL788838 0.88 ALDH1A1 (0.72) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL13131205 0.85 TAS1R3 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL15226782 0.85 TAS1R3 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A

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 11 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 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
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
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 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.