SCHEMBL5838306

SCHEMBL5838306

CC(=O)OCc1ccc([C@@H]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CACNA1B Q00975 3/20 0.38
ELANE P08246 1/20 0.38
PDE4B Q07343 2/20 0.37
CYP3A4 P08684 1/20 0.36
BDKRB1 P46663 1/20 0.36
NAAA Q02083 2/20 0.35
F2 P00734 2/20 0.35
ASAH1 Q13510 1/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL5837836 0.84 SLC6A2 (0.52) SLC6A2SLC6A4CACNA1BPDE4BBDKRB1
SCHEMBL5837839 0.84 SLC6A2 (0.52) SLC6A2SLC6A4CACNA1BPDE4BBDKRB1
SCHEMBL5837841 0.84 SLC6A2 (0.52) SLC6A2SLC6A4CACNA1BPDE4BBDKRB1
SCHEMBL5718108 0.83 ALDH1A1 (0.49) SLC6A2SLC6A4ALDH1A1CYP3A4NAAA
SCHEMBL6735711 0.83 SLC6A2 (0.47) SLC6A2SLC6A4ALDH1A1PDE4BFKBP1A
SCHEMBL5838942 0.81 SLC6A2 (0.49) SLC6A2SLC6A4PDE4BBDKRB1
SCHEMBL5718080 0.80 SLC6A2 (0.52) SLC6A2SLC6A4CACNA1BPDE4BBDKRB1
SCHEMBL6731983 0.78 SLC6A2 (0.54) SLC6A2SLC6A4PDE4B
SCHEMBL5838994 0.73 SMN1; SMN2 (0.47) SLC6A2SLC6A4ALDH1A1
SCHEMBL11932080 0.72 SLC6A3 (0.41) SLC6A2ALDH1A1CACNA1BELANECYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074780-B2 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2006-07-11 US disclosed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 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 (1 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-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 SLC6A2 1862/4885SLC6A4 2786/4885ALDH1A1 349/4885

“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.