SCHEMBL1004322

SCHEMBL1004322

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.51
MTOR P42345 7/20 0.38
PIK3CA P42336 5/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATR Q13535 1/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PIK3R1 P27986 2/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1005156 1.00 HTR3A (0.51) HTR3AMTORPIK3CANPC1RAB9A
SCHEMBL1004321 1.00 HTR3A (0.51) HTR3AMTORPIK3CANPC1RAB9A
SCHEMBL1007978 0.92 HTR3A (0.52) HTR3AMTORPIK3CANPC1RAB9A
SCHEMBL1007977 0.92 HTR3A (0.52) HTR3AMTORPIK3CANPC1RAB9A
SCHEMBL3984271 0.89 HTR3A (0.53) HTR3ANPC1RAB9AKCNH2
SCHEMBL1006857 0.89 HTR3A (0.53) HTR3ANPC1RAB9AKCNH2
SCHEMBL3987867 0.88 HTR3A (0.50) HTR3AMTORPIK3CANPC1RAB9A
SCHEMBL1005780 0.87 HTR3A (0.49) HTR3AMTORPIK3CAATR
SCHEMBL1005781 0.87 HTR3A (0.49) HTR3AMTORPIK3CAATR
SCHEMBL1006741 0.87 HTR3A (0.49) HTR3AMTORPIK3CAATR

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 3/4885MTOR 1840/4885PIK3CA 2953/4885

“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.