SCHEMBL3798458

SCHEMBL3798458

CC1CN(c2ccccc2[N+](=O)[O-])CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 1/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GRM5 P41594 1/20 0.41
MAPT P10636 5/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41
ENPP2 Q13822 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL30998112 0.80 MAPT (0.63) HTTKMT2AHSD11B1LMNAALDH1A1
SCHEMBL4435451 0.80 MAPT (0.63) HTTKMT2AHSD11B1LMNAALDH1A1
SCHEMBL3799680 0.80 MEN1 (0.46) KMT2AHSD11B1GPR119MEN1BCHE
SCHEMBL14852226 0.80 MAPT (0.59) HTTKMT2ALMNAALDH1A1MAPT
SCHEMBL3435963 0.79 GPR119 (0.45) HTTKMT2AHSD11B1LMNAALDH1A1
SCHEMBL23246152 0.78 ALDH1A1 (0.48) HTTKMT2ALMNAALDH1A1MAPT
SCHEMBL24792955 0.78 SIRT6 (0.50) KMT2ALMNAALDH1A1MAPTL3MBTL1
SCHEMBL29533077 0.78 ALDH1A1 (0.48) HTTKMT2ALMNAALDH1A1MAPT
SCHEMBL23246109 0.78 ALDH1A1 (0.48) HTTKMT2ALMNAALDH1A1MAPT
SCHEMBL3957603 0.78 SMARCA2 (0.53) LMNAALDH1A1GRM5MAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK HTR1A 3142/4885HTT 3454/4885KMT2A 1016/4885

“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.