SCHEMBL6504512

SCHEMBL6504512

CN1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.97
CYP2C19 P33261 3/20 0.97
LMNA P02545 1/20 0.97
HTR3E A5X5Y0 3/20 0.74
HTR3B O95264 3/20 0.74
HTR3A P46098 3/20 0.74
HTR3D Q70Z44 3/20 0.74
HTR3C Q8WXA8 3/20 0.74
CYP1A2 P05177 3/20 0.74
TSHR P16473 2/20 0.74
GMNN O75496 1/20 0.74
ALOX15 P16050 1/20 0.74
MTOR P42345 1/20 0.74
PMP22 Q01453 1/20 0.74
HSD17B10 Q99714 1/20 0.74
CHRNA7 P36544 1/20 0.74
GAA P10253 1/20 0.72
POLB P06746 1/20 0.69
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63

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
SCHEMBL6504516 1.00 CYP2D6 (0.97) CYP2D6CYP2C19LMNAHTR3EHTR3B
SCHEMBL14685717 1.00 CYP2D6 (0.97) CYP2D6CYP2C19LMNAHTR3EHTR3B
SCHEMBL6500334 0.87 HTR3E (0.76) CYP2D6CYP2C19LMNAHTR3EHTR3B
SCHEMBL6500328 0.87 HTR3E (0.76) CYP2D6CYP2C19LMNAHTR3EHTR3B
Bemesetron SCHEMBL5790539 0.85 CYP2D6 (1.00) CYP2D6CYP2C19LMNAHTR3EHTR3B
SCHEMBL1851573 0.85 HTR3E (0.74) CYP2D6CYP2C19LMNAHTR3EHTR3B
SCHEMBL16282624 0.85 HTR3E (0.74) CYP2D6CYP2C19LMNAHTR3EHTR3B
SCHEMBL1851576 0.85 HTR3E (0.74) CYP2D6CYP2C19LMNAHTR3EHTR3B
Bemesetron SCHEMBL10765684 0.85 CYP2D6 (1.00) CYP2D6CYP2C19LMNAHTR3EHTR3B
Bemesetron SCHEMBL195148 0.85 CYP2D6 (1.00) CYP2D6CYP2C19LMNAHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP2D6 998/4885CYP2C19 1031/4885LMNA 3642/4885

“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.