SCHEMBL1007535

SCHEMBL1007535

C=CCN1CC(C)N(c2nc3c(C(=O)OC)cccc3o2)CC1C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.43
TOP2A P11388 2/20 0.41
HTR3A P46098 9/20 0.40
OPRM1 P35372 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
SCHEMBL1007536 1.00 OPRD1 (0.43) OPRD1TOP2AHTR3AOPRM1
SCHEMBL1007691 1.00 OPRD1 (0.43) OPRD1TOP2AHTR3AOPRM1
SCHEMBL1004616 0.90 OPRD1 (0.39) OPRD1HTR3A
SCHEMBL1004576 0.90 OPRD1 (0.39) OPRD1HTR3A
SCHEMBL1004578 0.90 OPRD1 (0.39) OPRD1HTR3A
SCHEMBL1006137 0.81 HTR3A (0.66) HTR3A
Hydrochloric Acid SCHEMBL1005871 0.80 HTR3A (0.65) HTR3A
SCHEMBL1006382 0.78 HTR3A (0.48) OPRD1TOP2AHTR3A
SCHEMBL1006380 0.78 HTR3A (0.48) OPRD1TOP2AHTR3A
SCHEMBL1004430 0.75 HTR3A (0.64) TOP2AHTR3A

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 OPRD1 109/4885TOP2A 323/4885HTR3A 3/4885

“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.