SCHEMBL6415808

SCHEMBL6415808

CCOC(=O)CCN1CCC(c2ccccc2)C(C(=O)OC)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC18A2 Q05940 2/20 0.57
CHRM2 P08172 5/20 0.53
CHRM4 P08173 5/20 0.53
CHRM5 P08912 5/20 0.53
CHRM1 P11229 5/20 0.53
CHRM3 P20309 5/20 0.53

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
SCHEMBL8557816 0.86 SLC6A2 (0.70) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL6829116 0.79 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4SLC18A2
SCHEMBL10595156 0.78 SLC18A3 (0.64)
SCHEMBL6923257 0.77 SLC6A2 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL6923261 0.77 SLC6A2 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL7521262 0.73 SLC6A2 (0.58) SLC6A3SLC6A2SLC6A4
SCHEMBL7494007 0.73 SLC6A2 (0.58) SLC6A3SLC6A2SLC6A4
SCHEMBL17486623 0.73 SLC18A2 (1.00) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL4021371 0.73 ALDH1A1 (0.41)
SCHEMBL4024531 0.73 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404682-B1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK AS (DK) 2005-09-14 EP disclosed
EP-1404682-A1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 Novo Nordisk A/S (DK) 2004-04-07 EP disclosed
US-20030064979-A1 Method of inhibiting PTP 1B and /or T-cell PTP and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2003-04-03 US disclosed
WO-2003002569-A1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2003-01-09 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 (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-20030064979-A1 Method of inhibiting PTP 1B and /or T-cell PTP and/or other PTPases with an Asp residue at position 48 PTPRO, PTPRF, PTPA SLC6A3 4010/4885SLC6A2 4407/4885SLC6A4 4290/4885

“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.