SCHEMBL16866229

SCHEMBL16866229

CN1CCC[C@]23c4c5ccc(OCc6ccccc6)c4OC2[C@@H](O)C=CC3C1C5

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.66
▸ OPRD1 P41143 7/20 0.66
▸ OPRK1 P41145 6/20 0.66
▸ MRGPRX2 Q96LB1 4/20 0.66
▸ ADRB1 P08588 1/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ PDE3A Q14432 1/20 0.66
▸ SLC22A1 O15245 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ ARRB1 P49407 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
SCHEMBL29359245 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL678993 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL1278380 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL15249248 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL24880 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL31058090 0.94 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Propionic Acid SCHEMBL28993771 0.90 OPRD1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL23673341 0.86 OPRD1 (0.71) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL31298539 0.86 OPRM1 (0.76) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL27483470 0.85 OPRM1 (0.60) OPRM1OPRD1OPRK1MRGPRX2ADRB1

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-20150182462-A1 Opioid-Containing Oral Pharmaceutical Compositions and Methods UPSHER-SMITH LABORATORIES, INC. 2015-07-02 — — 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-20150182462-A1 Opioid-Containing Oral Pharmaceutical Compositions and Methods OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRD1 4/4885OPRK1 1/4885

“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.

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