SCHEMBL21497983

SCHEMBL21497983

C[C@H](NCC(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1Cl)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
AR P10275 6/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F11 P03951 3/20 0.34
KLKB1 P03952 2/20 0.34
SLC10A1 Q14973 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FSCN1 Q16658 1/20 0.33

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
SCHEMBL21497980 0.85 GRM4 (0.44) GRM4ARKCNH2ALDH1A1L3MBTL1
SCHEMBL17838294 0.85 SLC10A1 (0.44) GRM4ARKCNH2ALDH1A1L3MBTL1
SCHEMBL17838260 0.85 SLC10A1 (0.44) GRM4ARKCNH2ALDH1A1L3MBTL1
SCHEMBL21497982 0.83 GRM4 (0.41) GRM4ARKCNH2ALDH1A1L3MBTL1
SCHEMBL19881915 0.79 GRM4 (0.49) GRM4KCNH2ALDH1A1L3MBTL1SLC10A1
SCHEMBL16421451 0.79 GRM4 (0.43) GRM4ARKCNH2ALDH1A1L3MBTL1
SCHEMBL16416898 0.77 GRM4 (0.45) GRM4ARKCNH2ALDH1A1L3MBTL1
SCHEMBL20467193 0.77 SLC10A1 (0.42) GRM4ARSLC10A1FSCN1
SCHEMBL17838291 0.77 SLC10A1 (0.42) GRM4ARSLC10A1FSCN1
SCHEMBL17838303 0.76 GRM4 (0.40) GRM4ARKCNH2SLC10A1FSCN1

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 2037/4885AR 3664/4885KCNH2 4441/4885

“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.