SCHEMBL21497984

SCHEMBL21497984

Cc1c(C(=O)CNC(C)(C)CCO)cc(C(=O)Nc2ccc(F)c(C#N)c2)n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
FSCN1 Q16658 1/20 0.35
AR P10275 2/20 0.34
DPP4 P27487 1/20 0.34
SLC10A1 Q14973 5/20 0.33
LRRK2 Q5S007 2/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
KCNH2 Q12809 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
THRB P10828 1/20 0.32
AKT1 P31749 1/20 0.32
RORC P51449 1/20 0.31

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
SCHEMBL16421497 0.86 GRM4 (0.40) GRM4FSCN1ARSLC10A1LRRK2
SCHEMBL19881910 0.81 GRM4 (0.50) GRM4FSCN1ARSLC10A1LRRK2
SCHEMBL16421516 0.80 GRM4 (0.41) GRM4FSCN1ARSLC10A1LRRK2
SCHEMBL21497980 0.80 GRM4 (0.44) GRM4FSCN1ARRXFP1KCNH2
SCHEMBL16421447 0.78 GRM4 (0.36) GRM4FSCN1ARSLC10A1MET
SCHEMBL16416950 0.78 GRM4 (0.47) GRM4FSCN1SLC10A1LRRK2MAPT
SCHEMBL16417172 0.78 GRM4 (0.43) GRM4FSCN1ARSLC10A1LRRK2
SCHEMBL16421492 0.77 GRM4 (0.47) GRM4FSCN1SLC10A1LRRK2MAPT
SCHEMBL16421515 0.77 SLC10A1 (0.39) GRM4FSCN1ARSLC10A1LRRK2
SCHEMBL16421502 0.77 GRM4 (0.39) GRM4FSCN1ARSLC10A1LRRK2

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-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-10-22 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-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B GRHPR, AGXT, GLS2 GRM4 2037/4885FSCN1 4883/4885AR 3664/4885

“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.