SCHEMBL3973737

SCHEMBL3973737

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ccc3cc(F)ccc3n1)c(=O)n2C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73
CYP3A4 P08684 1/20 0.70
CHRM1 P11229 2/20 0.65

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
SCHEMBL3973062 1.00 DPP4 (0.73) DPP4CYP3A4CHRM1
SCHEMBL3976740 0.95 DPP4 (0.76) DPP4CYP3A4CHRM1
SCHEMBL3976733 0.95 DPP4 (0.76) DPP4CYP3A4CHRM1
SCHEMBL3971833 0.93 DPP4 (0.67) DPP4CHRM1
SCHEMBL3972406 0.93 DPP4 (0.67) DPP4CHRM1
SCHEMBL3967671 0.90 DPP4 (0.76) DPP4CYP3A4CHRM1
SCHEMBL3967673 0.90 DPP4 (0.76) DPP4CYP3A4CHRM1
SCHEMBL3974578 0.88 DPP4 (0.70) DPP4CHRM1
SCHEMBL3974581 0.88 DPP4 (0.70) DPP4CHRM1
SCHEMBL3970122 0.86 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 4 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
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
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 2/4885CYP3A4 139/4885CHRM1 1139/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 DPP4 2/4885CYP3A4 165/4885CHRM1 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.