SCHEMBL21990763

SCHEMBL21990763

CC(C)(C)OC(=O)N1CCC(c2cnc(NC3Cc4ccccc4C3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
DDB1 Q16531 1/20 0.54
CRBN Q96SW2 1/20 0.54
ENPP2 Q13822 4/20 0.52
POLB P06746 1/20 0.49
THRB P10828 2/20 0.48
TP53 P04637 1/20 0.48
HPGDS O60760 1/20 0.48
GPR119 Q8TDV5 4/20 0.47
USP30 Q70CQ3 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL29771598 1.00 NAMPT (0.57) NAMPTDDB1CRBNENPP2POLB
SCHEMBL31737239 0.86 ALDH1A1 (0.55) NAMPTDDB1CRBNTHRBGPR119
SCHEMBL28551386 0.82 USP30 (0.53) DDB1CRBNGPR119USP30ALDH1A1
SCHEMBL22895646 0.82 USP30 (0.53) DDB1CRBNGPR119USP30ALDH1A1
SCHEMBL30914985 0.80 ALDH1A1 (0.56) DDB1CRBNGPR119USP30ALDH1A1
SCHEMBL3775260 0.80 USP30 (0.67) POLBHPGDSGPR119USP30ALDH1A1
SCHEMBL21990760 0.79 NAMPT (0.57) NAMPTENPP2
SCHEMBL3769585 0.78 ALDH1A1 (0.56) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL4062890 0.78 GPR119 (0.61) POLBGPR119USP30ALDH1A1NPC1
SCHEMBL29607759 0.77 ENPP2 (0.64) NAMPTDDB1CRBNENPP2MAPT

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 1921/4885DDB1 3975/4885CRBN 4111/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 NAMPT 1921/4885DDB1 3975/4885CRBN 4111/4885
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NAMPT 1921/4885DDB1 3975/4885CRBN 4111/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 NAMPT 1921/4885DDB1 3975/4885CRBN 4111/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 NAMPT 1557/4885DDB1 3761/4885CRBN 3957/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 NAMPT 1557/4885DDB1 3761/4885CRBN 3957/4885

“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.