SCHEMBL12144141

SCHEMBL12144141

COC(=O)C1CCCCC1CCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CTSK P43235 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL22035090 0.89 CHRM2 (0.40) CHRM2CHRM4CHRM3SMN1; SMN2CYP3A4
SCHEMBL12140495 0.85 CA1 (0.47) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL30472587 0.85 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL1934486 0.85 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL30472636 0.85 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL29315034 0.82 HTT (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL2295236 0.81 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL4135157 0.81 CHRM2 (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL4135152 0.81 CHRM2 (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL4135155 0.81 CHRM2 (0.43) SLC6A2SLC6A4CHRM2CHRM4CHRM3

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-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 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-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN SLC6A2 3918/4885SLC6A4 2726/4885CHRM2 4856/4885

“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.