SCHEMBL4575844

SCHEMBL4575844

C=CCN1C[C@H](C)N([C@H](c2cccc(O)c2)c2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
OPRM1 P35372 1/20 0.59
OPRK1 P41145 1/20 0.59
SIGMAR1 Q99720 1/20 0.59

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
SCHEMBL4575681 1.00 OPRD1 (0.59) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL13440481 0.86 OPRD1 (0.64) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4576016 0.86 OPRD1 (0.68) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575933 0.86 OPRD1 (0.68) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL7923037 0.86 OPRD1 (0.68) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL7994344 0.86 OPRD1 (0.68) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6374535 0.86 OPRD1 (0.68) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575679 0.86 OPRD1 (0.68) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575840 0.86 OPRD1 (0.68) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4591682 0.84 OPRD1 (0.51) OPRD1CYP1A2CYP3A4OPRM1OPRK1

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-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS ENTA HOLDING LLC 2008-08-14 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-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 751/4885CYP3A4 866/4885

“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.