SCHEMBL1961306

SCHEMBL1961306

CC(C)=CCn1c(N2CCC[C@H](NCC(=O)N3CCCC3C#N)C2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.61
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
CHRM1 P11229 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46

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
SCHEMBL1961303 1.00 DPP4 (0.61) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL556114 1.00 DPP4 (0.61) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL555446 0.91 DPP4 (0.58) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL555696 0.88 DPP4 (0.63) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL556457 0.87 DPP4 (0.64) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL555517 0.86 DPP4 (0.68) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL556083 0.86 DPP4 (0.61) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL556236 0.86 DPP4 (0.68) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL556074 0.85 DPP4 (0.71) DPP4KMT2ALMNAMAPK1CHRM1
SCHEMBL556507 0.85 DPP4 (0.73) DPP4KMT2ALMNAMAPK1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885KMT2A 3439/4885LMNA 3445/4885

“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.