SCHEMBL22804136

SCHEMBL22804136

COC(=O)[C@@H](C)Oc1cnn(C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.36
PLAU P00749 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH2 P05091 1/20 0.32
HTT P42858 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 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
SCHEMBL29222395 0.84 KMT2A (0.42) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL29222393 0.84 KMT2A (0.42) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL22804135 0.77 TDP1 (0.38) KMT2AMEN1MAPTL3MBTL1POLB
SCHEMBL19313103 0.70
SCHEMBL6426140 0.70 NPC1 (0.31) KMT2AMEN1HPGD
SCHEMBL27625231 0.70 ALOX15 (0.36) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29907682 0.69 GAA (0.36) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL30065084 0.69 MEN1 (0.41) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL3902859 0.68 ALOX5 (0.45) MAPTL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL3436120 0.67 CYP1A2 (0.51) KMT2AMEN1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220354860-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF FOCHON PHARMACEUTICALS, LTD. (CN) 2022-11-10 US disclosed
EP-3983415-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF Fochon Pharmaceuticals, Ltd. (CN) 2022-04-20 EP disclosed
WO-2020253659-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF FOCHON PHARMACEUTICALS, LTD. (CN) 2020-12-24 WO 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-20220354860-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF NUDT1, UGP2, NUDT21 F9 4805/4885PLAU 315/4885KMT2A 1693/4885

“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.