SCHEMBL8424676

SCHEMBL8424676

COC(=O)C1CC(CN)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
ANPEP P15144 2/20 0.42
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
P2RX3 P56373 1/20 0.36
PEPD P12955 2/20 0.36
HTRA1 Q92743 1/20 0.35
XPNPEP1 Q9NQW7 1/20 0.35
TGM2 P21980 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL7722277 1.00 MMP2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL7722279 1.00 MMP2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL31000603 1.00 MMP2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL8272255 1.00 MMP2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL8611458 0.92 NR1H2 (0.42) MMP2ANPEPNR1H2CYP3A4CYP1A2
SCHEMBL8610457 0.92 NR1H2 (0.42) MMP2ANPEPNR1H2CYP3A4CYP1A2
SCHEMBL17007562 0.89 MMP2 (0.40) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL17007565 0.89 MMP2 (0.40) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL2708302 0.87 NR1H2 (0.51) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL2708360 0.87 NR1H2 (0.41) MMP2ANPEPNR1H2NR1H3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671076-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-03-02 US disclosed
US-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2008-05-22 US disclosed
US-7348346-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-03-25 US disclosed
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2005-09-29 US disclosed
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-22 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 (3 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-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 MMP2 40/4885ANPEP 47/4885NR1H2 1063/4885
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MMP2 40/4885ANPEP 47/4885NR1H2 1063/4885
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MMP2 40/4885ANPEP 47/4885NR1H2 1063/4885

“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.