SCHEMBL3566402

SCHEMBL3566402

Cn1c(=O)n(CC(=O)c2ccccc2NC(=O)C2CCC(=O)N2)c(=O)c2c1nc(N1CCCC(N)C1)n2CC1=CCCC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
CHRM1 P11229 5/20 0.55
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL3562665 0.90 DPP4 (0.65) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3562721 0.88 DPP4 (0.63) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3559132 0.88 DPP4 (0.66) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3562534 0.87 DPP4 (0.62) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3562797 0.87 DPP4 (0.61) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3559403 0.86 DPP4 (0.61) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3566252 0.86 DPP4 (0.70) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL638550 0.85 DPP4 (0.63) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555626 0.84 DPP4 (0.74) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL638127 0.81 DPP4 (0.81) DPP4CHRM1CHRM2CHRM3KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838529-B2 Xanthine derivates, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-7495005-B2 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-02-24 US disclosed
EP-1554278-B1 XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2006-04-12 EP disclosed
EP-1554278-A2 XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-20 EP disclosed
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-26 US disclosed
WO-2004018467-A2 PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO 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-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA DPP4 55/4885CHRM1 117/4885CHRM2 180/4885
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS XDH, CALCRL, GPR119 DPP4 68/4885CHRM1 54/4885CHRM2 39/4885

“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.