SCHEMBL2818079

SCHEMBL2818079

COC(=O)c1cc2c(cc1F)CCC[C@H]2NC(=O)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
TAS1R3 Q7RTX0 12/20 0.57
TAS1R1 Q7RTX1 12/20 0.57
TAS1R2 Q8TE23 10/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL2818077 1.00 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2818576 0.94 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL803578 0.94 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL785280 0.89 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL785279 0.89 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2822056 0.88 ALDH1A1 (0.67) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2822060 0.88 ALDH1A1 (0.67) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2819919 0.84 ALDH1A1 (0.68) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL803557 0.84 ALDH1A1 (0.68) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL15235419 0.82 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1

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 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

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.