SCHEMBL5789101

SCHEMBL5789101

CN1[C@@H]2CC[C@H]1CC(OC(=O)c1ccccc1F)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.66
HTR3E A5X5Y0 4/20 0.66
HTR3B O95264 4/20 0.66
HTR3D Q70Z44 4/20 0.66
HTR3C Q8WXA8 4/20 0.66
CHRNA7 P36544 2/20 0.66
CHRM5 P08912 2/20 0.62
CHRM1 P11229 2/20 0.62
CHRM3 P20309 2/20 0.62
CHRNA1 P02708 1/20 0.62
CHRNG P07510 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTR1A P08908 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CHRNB1 P11230 1/20 0.62
CHRNB2 P17787 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
CHRNB4 P30926 1/20 0.62

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
SCHEMBL5789103 1.00 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7652481 0.90 HTR3A (0.75) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7652475 0.90 HTR3A (0.75) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6506216 0.84 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5789144 0.84 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5789139 0.84 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6506214 0.84 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6506786 0.84 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6506784 0.84 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6507167 0.83 HTR3E (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423006-A4 AGONISTS AND ANTAGONISTS OF 5H 3?-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMW SCIENT IND RES ORG (AU) 2006-02-01 EP claimed
US-20050054680-A1 Agonists and antagonists of 5h3-like receptors of invertebrates as pesticides COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-03-10 US claimed
EP-1423006-A1 AGONISTS AND ANTAGONISTS OF 5H 3?-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-06-02 EP claimed
WO-2003015517-A1 AGONISTS AND ANTAGONISTS OF 5H3-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-02-27 WO claimed
EP-1423006-A4 AGONISTS AND ANTAGONISTS OF 5H 3?-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMW SCIENT IND RES ORG (AU) 2006-02-01 EP disclosed
US-20050054680-A1 Agonists and antagonists of 5h3-like receptors of invertebrates as pesticides COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-03-10 US disclosed
EP-1423006-A1 AGONISTS AND ANTAGONISTS OF 5H 3?-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-06-02 EP disclosed
WO-2003015517-A1 AGONISTS AND ANTAGONISTS OF 5H3-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-02-27 WO 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-20050054680-A1 Agonists and antagonists of 5h3-like receptors of invertebrates as pesticides HTR3C, HTR3A, HTR3E HTR3A 2/4885HTR3E 3/4885HTR3B 4/4885

“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.