SCHEMBL1005791

SCHEMBL1005791

CCC1CN(Cc2ccccc2)CCN1c1nc2c(C(=O)OC)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TOP2A P11388 2/20 0.43
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 2/20 0.39

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
SCHEMBL1005792 1.00 HTR3A (0.45) HTR3AMEN1KMT2ATOP2AHSD17B10
SCHEMBL1004885 0.91 HTR3A (0.46) HTR3AKDM4EGSK3B
SCHEMBL1004886 0.91 HTR3A (0.46) HTR3AKDM4EGSK3B
SCHEMBL1005672 0.91 HTR3A (0.48) HTR3AMEN1KMT2ATOP2AHSD17B10
SCHEMBL1005673 0.91 HTR3A (0.48) HTR3AMEN1KMT2ATOP2AHSD17B10
SCHEMBL1006184 0.87 HTR3A (0.44) HTR3AMEN1KMT2ATOP2AHSD17B10
SCHEMBL1006182 0.87 HTR3A (0.44) HTR3AMEN1KMT2ATOP2AHSD17B10
SCHEMBL1004188 0.81 HTR3A (0.48) HTR3AMEN1KMT2ASMN1; SMN2
SCHEMBL1004189 0.81 HTR3A (0.48) HTR3AMEN1KMT2ASMN1; SMN2
SCHEMBL1006865 0.81 HTR3A (0.73) HTR3A

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 3/4885MEN1 1199/4885KMT2A 2162/4885

“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.