SCHEMBL1006380

SCHEMBL1006380

C=CCN1CCN(c2nc3c(C(=O)OC)cccc3o2)[C@@H](CC(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 14/20 0.48
OPRD1 P41143 1/20 0.38
TOP2A P11388 2/20 0.37
KCNH2 Q12809 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CB P42338 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
SCHEMBL1006382 1.00 HTR3A (0.48) HTR3AOPRD1TOP2AKCNH2LMNA
SCHEMBL1005698 0.91 HTR3A (0.47) HTR3AKCNH2LMNAHTTSMN1; SMN2
SCHEMBL1005699 0.91 HTR3A (0.47) HTR3AKCNH2LMNAHTTSMN1; SMN2
SCHEMBL1005673 0.86 HTR3A (0.48) HTR3ATOP2ALMNASMN1; SMN2
SCHEMBL1005672 0.86 HTR3A (0.48) HTR3ATOP2ALMNASMN1; SMN2
SCHEMBL1006164 0.82 HTR3A (0.74) HTR3AKCNH2
SCHEMBL1006856 0.81 HTR3A (0.68) HTR3ATOP2AKCNH2PIK3CB
SCHEMBL1007536 0.78 OPRD1 (0.43) HTR3AOPRD1TOP2A
SCHEMBL1007691 0.78 OPRD1 (0.43) HTR3AOPRD1TOP2A
SCHEMBL1007535 0.78 OPRD1 (0.43) HTR3AOPRD1TOP2A

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 3/4885OPRD1 109/4885TOP2A 323/4885

“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.