SCHEMBL3972899

SCHEMBL3972899

CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1cccc(OC3CCC3)c1)c(=O)n2C

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.87
CHRM1 P11229 6/20 0.79
KCNH2 Q12809 2/20 0.62
CHRM2 P08172 1/20 0.61
CHRM3 P20309 1/20 0.61

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
SCHEMBL3973561 1.00 DPP4 (0.87) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL3968087 0.98 DPP4 (0.88) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL3968083 0.98 DPP4 (0.88) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL637608 0.93 DPP4 (1.00) DPP4CHRM1KCNH2
SCHEMBL637607 0.93 DPP4 (1.00) DPP4CHRM1KCNH2
SCHEMBL637749 0.92 DPP4 (0.87) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL639692 0.92 DPP4 (0.87) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL637748 0.92 DPP4 (0.87) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL639693 0.92 DPP4 (0.87) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL638695 0.91 DPP4 (0.86) DPP4CHRM1KCNH2CHRM2CHRM3

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 2/4885CHRM1 1139/4885KCNH2 2691/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 DPP4 2/4885CHRM1 1003/4885KCNH2 2546/4885

“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.