SCHEMBL220778

SCHEMBL220778

CCCCCCCCOC(=O)N(C)CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.62
CHRM1 P11229 5/20 0.54
DRD2 P14416 5/20 0.54
CHRM3 P20309 5/20 0.54
DRD3 P35462 5/20 0.54
HRH1 P35367 4/20 0.54
CHRM2 P08172 4/20 0.54
CHRM4 P08173 4/20 0.54
CHRM5 P08912 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
ADORA3 P0DMS8 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
SLC6A2 P23975 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
ADRA1A P35348 3/20 0.54
OPRK1 P41145 3/20 0.54
SLC6A3 Q01959 3/20 0.54

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
SCHEMBL218473 0.92 SLC6A4 (0.66) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL221187 0.82 SLC6A4 (0.68) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL220948 0.82 SLC6A4 (0.61) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL29843225 0.82 SLC6A4 (0.61) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL26967791 0.78 SLC6A4 (0.69) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL8724668 0.77 SLC6A4 (0.61) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL12307218 0.76 HTR2A (0.64) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL12307233 0.76 HTR2A (0.64) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL12307238 0.76 HTR2A (0.64) SLC6A4CHRM1DRD2CHRM3DRD3
SCHEMBL9490693 0.75 SLC6A4 (0.72) SLC6A4CHRM1DRD2CHRM3DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
EP-1778252-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS Barbeau, Donald L. (US) 2007-05-02 EP disclosed
WO-2006020573-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS BARBEAU DONALD L (US) 2006-02-23 WO disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 SLC6A4 380/4885CHRM1 1588/4885DRD2 902/4885

“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.