SCHEMBL3972979

SCHEMBL3972979

CC#CCn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(Cc1nc(-c3ccccc3)nc3ccccc13)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
CHRM1 P11229 2/20 0.56
POU2F2 P09086 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
POU2F1 P14859 1/20 0.55
CHRM3 P20309 1/20 0.55
HRH2 P25021 1/20 0.55
MC4R P32245 1/20 0.55
FAP Q12884 1/20 0.55
DPP8 Q6V1X1 1/20 0.55
DPP9 Q86TI2 1/20 0.55
GHSR Q92847 1/20 0.55

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
SCHEMBL639047 1.00 DPP4 (1.00) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3970435 0.93 DPP4 (0.86) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3337913 0.92 DPP4 (0.86) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3338183 0.92 DPP4 (0.86) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3336167 0.92 DPP4 (0.86) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL637929 0.90 DPP4 (0.81) DPP4CHRM1
SCHEMBL637609 0.90 DPP4 (0.81) DPP4CHRM1
SCHEMBL3336060 0.89 DPP4 (0.80) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL637743 0.89 DPP4 (0.81) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3972211 0.89 DPP4 (0.80) DPP4CHRM1POU2F2ADORA3POU2F1

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 5 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
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 1139/4885POU2F2 2574/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 DPP4 2/4885CHRM1 1003/4885POU2F2 2452/4885

“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.