SCHEMBL497393

SCHEMBL497393

CC#CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.81
CHRM1 P11229 4/20 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
Water SCHEMBL14698371 1.00 DPP4 (0.81) DPP4CHRM1
Water SCHEMBL14698370 1.00 DPP4 (0.81) DPP4CHRM1
SCHEMBL196623 1.00 DPP4 (0.81) DPP4CHRM1
SCHEMBL196624 1.00 DPP4 (0.81) DPP4CHRM1
Hydrochloric Acid SCHEMBL497609 0.99 DPP4 (0.80) DPP4CHRM1
Hydrochloric Acid SCHEMBL497580 0.99 DPP4 (0.80) DPP4CHRM1
Hydrochloric Acid SCHEMBL497712 0.99 DPP4 (0.80) DPP4CHRM1
Hydrochloric Acid SCHEMBL15049683 0.99 DPP4 (0.80) DPP4CHRM1
SCHEMBL8270380 0.93 DPP4 (0.69) DPP4CHRM1
SCHEMBL9910543 0.92 DPP4 (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2540724-B1 HYDROCHLORIDES OF 1-[(3-CYANO-PYRIDIN-2-YL) METHYL]-3-METHYL-7-(2-BUTIN-1-YL)-8-[3-AMINO-PIPERIDIN-1-YL]-XANTHIN, THEIR MANUFACTURE AND USE OF SAME AS MEDICINE BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP claimed
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-8637530-B2 8-(3-amino-piperidin-1-yl)-xanthines, their preparation, and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-20120142712-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-8106060-B2 8-(3-amino-piperidin-1-yl)-xanthines, their preparation, and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-31 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-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 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 (3 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-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH DPP4 148/4885CHRM1 734/4885
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-20120142712-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH DPP4 148/4885CHRM1 734/4885

“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.