SCHEMBL1769827

SCHEMBL1769827

CCOC(=O)C1Cc2cccnc2N1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.42
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSB P07858 1/20 0.38
NPEPPS P55786 1/20 0.38
BCL2 P10415 1/20 0.38
BAD Q92934 1/20 0.38
GAA P10253 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL16465007 0.90 NR1D1 (0.42) NR1D1CYP2C19KDM4EALDH1A1TP53
SCHEMBL4597401 0.86 NR1D1 (0.40) NR1D1CYP2C19KMT2AHRH1
SCHEMBL18419573 0.83 DPP8 (0.43) NR1D1CYP2C19CTSB
SCHEMBL18419569 0.83 DPP8 (0.43) NR1D1CYP2C19CTSB
Hydrochloric Acid SCHEMBL17094853 0.82 DPP8 (0.42) NR1D1CYP2C19CTSB
Hydrochloric Acid SCHEMBL17094851 0.82 DPP8 (0.42) NR1D1CYP2C19CTSB
SCHEMBL16465009 0.82 ACE (0.41) HRH1
SCHEMBL2824161 0.79 NOTUM (0.56) NR1D1KDM4EALDH1A1TP53
SCHEMBL2824164 0.79 NOTUM (0.56) NR1D1KDM4EALDH1A1TP53
SCHEMBL17094830 0.72 PTPN1 (0.42) KDM4E

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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LES LABORATOIRES SERVIER (FR) 2011-05-12 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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. BAX, CASP3, BCL2 NR1D1 1006/4885CYP2C19 49/4885KDM4E 3557/4885

“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.