SCHEMBL6416247

SCHEMBL6416247

O=C1CCN2CC1CCC2c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
SRD5A1 P18405 2/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SRD5A2 P31213 1/20 0.38
GRIN2B Q13224 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6414792 0.72 SLC18A2 (0.43)
SCHEMBL6354126 0.70 CTSL (0.43) GRIN2B
SCHEMBL6417778 0.70 LMNA (0.32) KMT2A
SCHEMBL17137913 0.68 CHRNA7 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL442161 0.68 CHRNB2 (0.47) SLC18A3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6413838 0.67 SRD5A1 (0.42) SLC18A3SRD5A1CHRNA7GRIN2BHPGD
SCHEMBL19606551 0.66 CRBN (0.62) SLC18A3
SCHEMBL10291415 0.66 HPGD (0.41) SLC18A3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3072611 0.65 RIPK1 (0.49) SLC18A3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19606201 0.65 SRD5A1 (0.48) SLC18A3SRD5A1SRD5A2GRIN2B

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 SLC18A3 3699/4885SRD5A1 771/4885CHRNB2 4454/4885

“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.