SCHEMBL12337175

SCHEMBL12337175

CN(CC1CC1)[C@@H]1Cc2ccc(OS(=O)(=O)C(F)(F)F)c3c2C2[C@@H](O3)C(=O)CC[C@]21O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.40
DRD2 P14416 2/20 0.33
HTR1D P28221 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12337178 0.82 OPRM1 (0.38)
SCHEMBL18473622 0.77 HCRTR1 (0.40) HCRTR1ALDH1A1
SCHEMBL46027 0.72
SCHEMBL13973195 0.71 HCRTR1 (0.33) HCRTR1ALDH1A1
SCHEMBL14292473 0.70 OPRM1 (0.38)
SCHEMBL18994720 0.69 OPRD1 (0.41) ALDH1A1
SCHEMBL14012718 0.69 OPRM1 (0.33)
SCHEMBL19413918 0.68 OPRM1 (0.44) ALDH1A1
SCHEMBL10072374 0.67 HCRTR1 (0.42) HCRTR1
SCHEMBL13659846 0.67 HCRTR1 (0.40) HCRTR1ALDH1A1

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-8263807-B2 Quaternary opioid carboxamides RENSSELAER POLYTECHNIC INSTITUTE (US) 2012-09-11 US disclosed
US-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-08-06 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-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES OPRK1, OPRM1, OPRD1 HCRTR1 14/4885DRD2 342/4885HTR1D 423/4885

“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.