SCHEMBL1008285

SCHEMBL1008285

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 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
SCHEMBL1008286 1.00 MEN1 (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1004393 0.87 L3MBTL1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1004394 0.87 L3MBTL1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1004392 0.87 L3MBTL1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL18425845 0.86 MEN1 (0.51) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL20455077 0.86 MEN1 (0.51) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL14995774 0.81 MEN1 (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL18711167 0.77 TAAR1 (0.55) MEN1KMT2AKDM4ESMN1; SMN2TSHR
SCHEMBL6820132 0.77 NPC1 (0.62) MEN1KMT2ANPC1RAB9A
SCHEMBL9191094 0.77 NPC1 (0.62) MEN1KMT2ANPC1RAB9A

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 MEN1 1199/4885KMT2A 2162/4885NPC1 4186/4885

“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.