SCHEMBL1004393

SCHEMBL1004393

COC(=O)[C@H](C)N[C@@H](C)CN(C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ACHE P22303 4/20 0.44
OPRK1 P41145 1/20 0.43
BCHE P06276 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL1004392 1.00 L3MBTL1 (0.48) L3MBTL1MAPTMEN1KMT2ATSHR
SCHEMBL1004394 1.00 L3MBTL1 (0.48) L3MBTL1MAPTMEN1KMT2ATSHR
SCHEMBL14085919 0.87 L3MBTL1 (0.49) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL1189423 0.87 L3MBTL1 (0.49) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL1008285 0.87 MEN1 (0.50) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL1008286 0.87 MEN1 (0.50) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL25970364 0.80 OPRK1 (0.49) L3MBTL1MAPTMEN1KMT2ATSHR
SCHEMBL7860810 0.79 NPC1 (0.57) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL4151993 0.78 ACHE (0.47) L3MBTL1MAPTMEN1KMT2ATSHR
SCHEMBL14995774 0.78 MEN1 (0.50) L3MBTL1MEN1KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A L3MBTL1 4695/4885MAPT 2810/4885MEN1 1199/4885

“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.