SCHEMBL21990760

SCHEMBL21990760

CC(C)(C)OC(=O)N1CC=C(c2cnc(NC3Cc4ccccc4C3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.57
ENPP2 Q13822 4/20 0.49
GRM5 P41594 9/20 0.48
GRM1 Q13255 8/20 0.48
PDK4 Q16654 1/20 0.48
CYP11B2 P19099 1/20 0.48
BTK Q06187 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL20563969 0.86 ENPP2 (0.55) NAMPTENPP2
SCHEMBL29771638 0.84 ENPP2 (0.47) NAMPTENPP2
SCHEMBL21990763 0.79 NAMPT (0.57) NAMPTENPP2
SCHEMBL29771598 0.79 NAMPT (0.57) NAMPTENPP2
SCHEMBL2239831 0.78 NAMPT (0.66) NAMPTGRM5GRM1PDK4
SCHEMBL24838126 0.78 GRM1 (0.56) NAMPTGRM5GRM1PDK4CYP11B2
SCHEMBL21245894 0.78 CYP11B2 (0.56) NAMPTGRM5GRM1PDK4CYP11B2
SCHEMBL13275649 0.78 CYP11B2 (0.54) NAMPTGRM5GRM1PDK4CYP11B2
SCHEMBL29608800 0.77 ENPP2 (0.76) ENPP2
SCHEMBL30626024 0.77 ENPP2 (0.76) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LIGACHEM BIOSCIENCES INC. (KR) 2025-08-19 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 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 (6 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-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NAMPT 1921/4885ENPP2 1/4885GRM5 2395/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 NAMPT 1921/4885ENPP2 1/4885GRM5 2395/4885
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NAMPT 1921/4885ENPP2 1/4885GRM5 2395/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NAMPT 1921/4885ENPP2 1/4885GRM5 2395/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 NAMPT 1557/4885ENPP2 1/4885GRM5 2563/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 NAMPT 1557/4885ENPP2 1/4885GRM5 2563/4885

“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.