SCHEMBL1004355

SCHEMBL1004355

COC(=O)c1cccc2oc(N3[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]3C)nc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.48
KCNH2 Q12809 2/20 0.45
CYP2C19 P33261 1/20 0.45
TOP2A P11388 2/20 0.41
PARP1 P09874 3/20 0.39
POLR1A O95602 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
NAMPT P43490 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL1004469 1.00 HTR3A (0.48) HTR3AKCNH2CYP2C19TOP2APARP1
SCHEMBL1005158 1.00 HTR3A (0.48) HTR3AKCNH2CYP2C19TOP2APARP1
SCHEMBL1005157 1.00 HTR3A (0.48) HTR3AKCNH2CYP2C19TOP2APARP1
Lithium Ion SCHEMBL1003673 0.89 HTR3A (0.47) HTR3AKCNH2CYP2C19PARP1POLR1A
SCHEMBL1003499 0.89 HTR3A (0.47) HTR3AKCNH2CYP2C19PARP1POLR1A
SCHEMBL1005424 0.89 HTR3A (0.47) HTR3AKCNH2CYP2C19PARP1POLR1A
Lithium Ion SCHEMBL1003498 0.89 HTR3A (0.47) HTR3AKCNH2CYP2C19PARP1POLR1A
Lithium Ion SCHEMBL1005422 0.89 HTR3A (0.47) HTR3AKCNH2CYP2C19PARP1POLR1A
Lithium Ion SCHEMBL1003674 0.89 HTR3A (0.47) HTR3AKCNH2CYP2C19PARP1POLR1A
SCHEMBL4409888 0.89 HTR3A (0.47) HTR3AKCNH2CYP2C19PARP1POLR1A

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 3/4885KCNH2 1871/4885CYP2C19 169/4885

“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.