SCHEMBL3974590

SCHEMBL3974590

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ccc(C)o1)c(=O)n2C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.71
CHRM1 P11229 3/20 0.70
FAP Q12884 2/20 0.68
POU2F2 P09086 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
POU2F1 P14859 1/20 0.68
CHRM3 P20309 1/20 0.68
HRH2 P25021 1/20 0.68
MC4R P32245 1/20 0.68
DPP8 Q6V1X1 1/20 0.68
DPP9 Q86TI2 1/20 0.68
GHSR Q92847 1/20 0.68

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
SCHEMBL3974586 1.00 DPP4 (0.71) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL3971944 0.91 DPP4 (0.70) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL3971947 0.91 DPP4 (0.70) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL3968046 0.90 DPP4 (0.70) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL3968050 0.90 DPP4 (0.70) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL3972486 0.88 DPP4 (0.74) DPP4CHRM1
SCHEMBL3972484 0.88 DPP4 (0.74) DPP4CHRM1
SCHEMBL3974730 0.87 DPP4 (0.71) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL3974725 0.87 DPP4 (0.71) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL637226 0.86 DPP4 (0.72) DPP4CHRM1FAPPOU2F2ADORA3

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1139/4885FAP 19/4885

“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.