SCHEMBL7285805

SCHEMBL7285805

CN(C1=CC(=O)CCC1)c1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.39
MT-CO2 P00403 2/20 0.38
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.31

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
SCHEMBL12552450 0.71 METAP1 (0.36) C1R
SCHEMBL10495047 0.69 MT-CO2 (0.45) MT-CO2POLBMAPT
SCHEMBL12811256 0.64 C1R (0.45) C1R
SCHEMBL9573718 0.63 MT-CO2 (0.47) MT-CO2POLBMAPT
SCHEMBL29893980 0.62 MAPT (0.44) C1RMAPT
SCHEMBL3838727 0.62 MAPT (0.44) C1RMAPT
SCHEMBL11291211 0.61 MT-CO2 (0.41) MT-CO2POLBMAPT
SCHEMBL7291543 0.61 MT-CO2 (0.49) C1RMT-CO2POLBMAPT
SCHEMBL3201693 0.61
SCHEMBL26756570 0.61 APP (0.38) C1RMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144174-A1 DEUTERIUM-ENRICHED ODANSETRON PROTIA, LLC (US) 2011-06-16 US disclosed
US-20110144174-A1 DEUTERIUM-ENRICHED ODANSETRON PROTIA, LLC (US) 2011-06-16 US disclosed
US-7919516-B2 Deuterium-enriched ondansetron PROTIA, LLC (US) 2011-04-05 US disclosed
US-7919516-B2 Deuterium-enriched ondansetron PROTIA, LLC (US) 2011-04-05 US disclosed
US-20090076107-A1 DEUTERIUM-ENRICHED ODANSETRON PROTIA, LLC (US) 2009-03-19 US disclosed
US-20090076107-A1 DEUTERIUM-ENRICHED ODANSETRON PROTIA, LLC (US) 2009-03-19 US disclosed
EP-0221629-B1 PROCESS FOR THE PREPARATION OF 3-IMIDAZOLYLMETHYLTETRAHYDROCARBAZOLONES GLAXO GROUP LIMITED (GB) 1992-03-11 EP disclosed
US-4957609-A CYCLIZATION GLAXO GROUP LIMITED (GB) 1990-09-18 US disclosed
EP-0221629-A1 Process for the preparation of 3-imidazolylmethyltetrahydrocarbazolones GLAXO GROUP LIMITED (GB) 1987-05-13 EP 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 (2 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-20110144174-A1 DEUTERIUM-ENRICHED ODANSETRON SLC6A3, DRD2, AVPR2 C1R 4567/4885MT-CO2 4163/4885POLB 3620/4885
US-20090076107-A1 DEUTERIUM-ENRICHED ODANSETRON SLC6A3, DRD2, AVPR2 C1R 4567/4885MT-CO2 4163/4885POLB 3620/4885

“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.