SCHEMBL12401915

SCHEMBL12401915

CC(=O)C1CC(=O)CN1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
ANPEP P15144 3/20 0.40
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
MAPK1 P28482 2/20 0.31
TSHR P16473 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
SCHEMBL21515905 1.00 MMP2 (0.40) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL23371799 0.83 MMP2 (0.31) MMP2ANPEP
SCHEMBL10137597 0.83 MMP2 (0.40) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13688455 0.83 MMP2 (0.40) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13865299 0.79 MAPK1 (0.32) MAPK1
SCHEMBL2691165 0.78 MMP2 (0.60) MMP2ANPEP
SCHEMBL17826327 0.78 MMP2 (0.37) MMP2ANPEPTSHR
SCHEMBL17973099 0.78 MMP2 (0.60) MMP2ANPEP
SCHEMBL13403397 0.78 MMP2 (0.60) MMP2ANPEP
SCHEMBL14569838 0.78 MMP2 (0.37) MMP2ANPEPDPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137412-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-18 US disclosed
US-9585881-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-06 US disclosed
US-9394250-B2 Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2016-07-19 US disclosed
US-9365612-B2 Caspase inhibitors UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-06-14 US disclosed
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (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-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 MMP2 161/4885ANPEP 247/4885DPP4 3221/4885
US-20170137412-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 MMP2 161/4885ANPEP 247/4885DPP4 3221/4885
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 MMP2 161/4885ANPEP 247/4885DPP4 3221/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 MMP2 120/4885ANPEP 38/4885DPP4 18/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MMP2 120/4885ANPEP 38/4885DPP4 18/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 MMP2 107/4885ANPEP 45/4885DPP4 16/4885

“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.