SCHEMBL3315029

SCHEMBL3315029

COC(=O)C1CCNC(CCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.50
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CCR3 P51677 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL581461 0.88 SLC6A3 (0.43) PLGSLC6A2SLC6A4CCR3SLC6A3
SCHEMBL580899 0.87 PLG (0.48) PLGALDH1A1MAPTHPGDNPSR1
SCHEMBL30233529 0.79 ALDH1A1 (0.47) TSHRALDH1A1MAPTHPGDNPSR1
SCHEMBL28358230 0.78 ALDH1A1 (0.40) TSHRALDH1A1MAPTHPGDNPSR1
SCHEMBL23366566 0.78 CHRNB2 (0.39) ALDH1A1MAPT
SCHEMBL581503 0.77 PLG (0.53) PLGSLC6A2SLC6A4CCR3SLC6A3
SCHEMBL31320044 0.76 CHRNB2 (0.42)
SCHEMBL15592032 0.76 CHRNB2 (0.42)
SCHEMBL16499644 0.75 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDNPSR1
SCHEMBL16499642 0.75 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
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 (2 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 PLG 4519/4885TSHR 624/4885ALDH1A1 2006/4885
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 PLG 3980/4885TSHR 3256/4885ALDH1A1 671/4885

“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.