SCHEMBL984738

SCHEMBL984738

CC(C)(C)OC(=O)C1(N)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DPP4 P27487 1/20 0.31
OPRM1 P35372 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
Methane SCHEMBL27653701 0.87 DPP9 (0.30) KDM4EKMT2ADPP9DPP7
SCHEMBL2312894 0.86 MAPK1 (0.34) MAPK1CYP4F2CYP4A11
SCHEMBL15055670 0.82 KDM4E (0.35) KDM4EKMT2AOPRM1CYP4F2CYP4A11
SCHEMBL4499031 0.82 MAPK1 (0.33) MAPK1CYP4F2CYP4A11
SCHEMBL3295142 0.82 MAPK1 (0.33) MAPK1CYP4F2CYP4A11
Formaldehyde SCHEMBL27542028 0.82 MAPK1 (0.33) MAPK1CYP4F2CYP4A11
SCHEMBL21064053 0.80 TSHR (0.35) MAPK1CYP4F2CYP4A11
SCHEMBL22874559 0.80 TSHR (0.35) MAPK1CYP4F2CYP4A11
SCHEMBL21064071 0.80 TSHR (0.35) MAPK1CYP4F2CYP4A11
SCHEMBL18361370 0.80 TSHR (0.35) MAPK1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A KDM4E 1035/4885KMT2A 2975/4885DPP9 473/4885

“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.