SCHEMBL3038545

SCHEMBL3038545

CC(C)=CCn1c(N2CCCCC2)nc2c1c(=O)n(CCc1ccccc1C)c(=O)n2C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.63
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRM1 P11229 4/20 0.55
CHRM2 P08172 1/20 0.55
CHRM3 P20309 1/20 0.55
KCNH2 Q12809 1/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL555832 0.89 DPP4 (0.82) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556300 0.84 DPP4 (0.49) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3035783 0.83 DPP4 (0.69) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL556572 0.82 DPP4 (0.72) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL27583022 0.82 DPP4 (0.79) DPP4ALDH1A1SMN1; SMN2CHRM1CHRM2
SCHEMBL3002431 0.80 DPP4 (0.64) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL556617 0.80 DPP4 (0.82) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555566 0.80 DPP4 (0.82) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555204 0.80 DPP4 (0.72) DPP4KMT2AALDH1A1MEN1CHRM1
SCHEMBL555414 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204250-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2010-08-12 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-20100204250-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885KMT2A 3475/4885ALDH1A1 363/4885

“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.