SCHEMBL3555455

SCHEMBL3555455

CCn1c(=O)c2c(nc(N3CC[C@H]4NCC[C@H]43)n2CC=C(C)C)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.62
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3555456 1.00 DPP4 (0.62) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL878101 0.86 DPP4 (0.75) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL878100 0.86 DPP4 (0.75) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL3554659 0.85 DPP4 (0.74) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL3554657 0.85 DPP4 (0.74) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3555458 0.77 DPP4 (0.48) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1223713 0.76 DPP4 (0.98) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1223814 0.74 DPP4 (0.80) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556178 0.74 DPP4 (0.84) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556444 0.74 DPP4 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838528-B2 Substituted bicyclic 8-pyrrolidinoxanthines, methods for their production, pharmaceutical formulations and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
US-20070167468-A1 SUBSTITUTED BICYCLIC 8-PYRR0LIDINOXANTHINES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL FORMULATIONS AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-19 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-20070167468-A1 SUBSTITUTED BICYCLIC 8-PYRR0LIDINOXANTHINES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL FORMULATIONS AND THEIR USE GPR119, INSR, GCKR DPP4 568/4885CHRM1 3987/4885CHRM2 2630/4885

“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.