SCHEMBL1811181

SCHEMBL1811181

CN(C)C(=O)C1CNCCN1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
GLI1 P08151 1/20 0.33
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL2917607 0.89 DPP4 (0.36) DPP4GLI1TSHR
SCHEMBL8393971 0.84 CHRNB2 (0.31)
SCHEMBL2921241 0.84 GLI1 (0.40) DPP4GLI1TSHR
SCHEMBL12900586 0.83 MMP1 (0.32)
SCHEMBL27286359 0.80 CHRNB2 (0.33) TSHR
SCHEMBL18231611 0.79 DPP4 (0.33) DPP4GLI1
SCHEMBL28509881 0.79 DPP4 (0.33) DPP4GLI1TACR1
SCHEMBL2916820 0.79 SLC6A1 (0.36) TSHR
SCHEMBL12108456 0.79 TSHR (0.33) TSHR
SCHEMBL12524260 0.79 SLC6A1 (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961521-A1 ASYMMETRICALLY POROUS MEMBRANES MADE OF CROSS-LINKED THERMOPLASTIC SILICONE ELASTOMER Wacker Chemie AG (DE) 2016-01-06 EP disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 WO disclosed
WO-2014131673-A1 ASYMMETRICALLY POROUS MEMBRANES MADE OF CROSS-LINKED THERMOPLASTIC SILICONE ELASTOMER WACKER CHEMIE AG (DE) 2014-09-04 WO disclosed
US-20110269700-A1 GLUCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG 2011-11-03 US disclosed
US-20110269700-A1 GLUCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG 2011-11-03 US disclosed
EP-2315626-A1 POROUS MEMBRANES MADE UP OF ORGANOPOLYSILOXANE COPOLYMERS Wacker Chemie AG (DE) 2011-05-04 EP disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
WO-2010031820-A1 GLUCOSIDE DERIVATIVES AND USES THEREOF AS SGLT INHIBITORS NOVARTIS AG (CH) 2010-03-25 WO disclosed
WO-2010020584-A1 POROUS MEMBRANES MADE UP OF ORGANOPOLYSILOXANE COPOLYMERS WACKER CHEMIE AG (DE) 2010-02-25 WO disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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 (6 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R DPP4 3386/4885GLI1 477/4885TSHR 2787/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 DPP4 3499/4885GLI1 1519/4885TSHR 4178/4885
US-20110269700-A1 GLUCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, UGGT1, SLC5A2 DPP4 129/4885GLI1 2523/4885TSHR 3285/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 DPP4 440/4885GLI1 1146/4885TSHR 4631/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 DPP4 2303/4885GLI1 2064/4885TSHR 2789/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 DPP4 1243/4885GLI1 690/4885TSHR 4671/4885

“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.