SCHEMBL1007978

SCHEMBL1007978

CCC[C@H]1COCCN1c1nc2c(C(=O)O)c(C)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.52
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GBA1 P04062 1/20 0.33
MTOR P42345 2/20 0.32
PIK3CA P42336 1/20 0.32
KCNH2 Q12809 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCRTR1 O43613 6/20 0.32
HCRTR2 O43614 6/20 0.32
CYP3A4 P08684 5/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1007977 1.00 HTR3A (0.52) HTR3ANPC1RAB9AGBA1MTOR
SCHEMBL1005156 0.92 HTR3A (0.51) HTR3ANPC1RAB9AMTORPIK3CA
SCHEMBL1004321 0.92 HTR3A (0.51) HTR3ANPC1RAB9AMTORPIK3CA
SCHEMBL1004322 0.92 HTR3A (0.51) HTR3ANPC1RAB9AMTORPIK3CA
SCHEMBL1006857 0.87 HTR3A (0.53) HTR3ANPC1RAB9AKCNH2HCRTR1
SCHEMBL3984271 0.87 HTR3A (0.53) HTR3ANPC1RAB9AKCNH2HCRTR1
SCHEMBL1005781 0.85 HTR3A (0.49) HTR3AMTORPIK3CA
SCHEMBL1005780 0.85 HTR3A (0.49) HTR3AMTORPIK3CA
SCHEMBL1006741 0.85 HTR3A (0.49) HTR3AMTORPIK3CA
SCHEMBL1007048 0.82 HTR3A (0.67) HTR3AMTORKCNH2NFE2L2

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 HTR3A 3/4885NPC1 4186/4885RAB9A 3017/4885

“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.