SCHEMBL3977322

SCHEMBL3977322

CC#CCn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(Cc1ccc(C(F)(F)F)cc1)c(=O)n2C

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.79
CHRM1 P11229 1/20 0.58

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
SCHEMBL3975514 0.93 DPP4 (0.81) DPP4CHRM1
SCHEMBL3972488 0.92 DPP4 (0.81) DPP4CHRM1
SCHEMBL3972056 0.92 DPP4 (0.77) DPP4CHRM1
SCHEMBL3970041 0.92 DPP4 (0.77) DPP4CHRM1
SCHEMBL3973740 0.92 DPP4 (0.80) DPP4CHRM1
SCHEMBL3972085 0.91 DPP4 (0.80) DPP4CHRM1
SCHEMBL3972564 0.91 DPP4 (0.79) DPP4CHRM1
SCHEMBL3971130 0.90 DPP4 (0.82) DPP4CHRM1
SCHEMBL637783 0.89 DPP4 (0.65) DPP4CHRM1
SCHEMBL637318 0.89 DPP4 (0.82) DPP4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
CN-1980930-B 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT 2012-11-21 CN disclosed
CN-102199151-A 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use BOEHRINGER INGELHEIM INT 2011-09-28 CN disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
CN-1980930-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-13 CN disclosed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 DPP4 2/4885CHRM1 1139/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 DPP4 2/4885CHRM1 1003/4885

“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.