SCHEMBL6157352

SCHEMBL6157352

COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@@H]4C=C[C@]1(C)O

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 4/20 0.77
OPRM1 P35372 14/20 0.67
OPRK1 P41145 10/20 0.67
OPRD1 P41143 4/20 0.67
ADRB1 P08588 1/20 0.67
PDE4D Q08499 1/20 0.67
PDE3A Q14432 1/20 0.67

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
SCHEMBL20522476 0.89 MRGPRX2 (0.78) MRGPRX2OPRM1OPRK1OPRD1ADRB1
SCHEMBL12143747 0.87 MRGPRX2 (0.72) MRGPRX2OPRM1OPRK1OPRD1ADRB1
SCHEMBL29459625 0.87 MRGPRX2 (1.00) MRGPRX2OPRM1OPRK1OPRD1ADRB1
SCHEMBL5108263 0.87 MRGPRX2 (1.00) MRGPRX2OPRM1OPRK1OPRD1ADRB1
Hydrochloric Acid SCHEMBL8168636 0.86 MRGPRX2 (0.98) MRGPRX2OPRM1OPRK1OPRD1ADRB1
SCHEMBL5108293 0.85 MRGPRX2 (0.77) MRGPRX2OPRM1OPRK1OPRD1ADRB1
SCHEMBL8591636 0.83 MRGPRX2 (0.67) MRGPRX2OPRM1OPRK1OPRD1ADRB1
Codeine SCHEMBL3257 0.80 OPRD1 (1.00) MRGPRX2OPRM1OPRK1OPRD1ADRB1
Codeine SCHEMBL1560699 0.80 OPRD1 (1.00) MRGPRX2OPRM1OPRK1OPRD1ADRB1
Codeine SCHEMBL21077535 0.80 OPRD1 (1.00) MRGPRX2OPRM1OPRK1OPRD1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972332-B1 Process for the production of opiates ACURA PHARMACEUTICALS, INC. (US) 2005-12-06 US disclosed
US-20050261500-A1 PROCESS FOR THE PRODUCTION OF OPIATES SCHUTTE, JOHN 2005-11-24 US disclosed
US-6949645-B1 Process for the production of opiates ACURA PHARMACEUTICALS, INC. (US) 2005-09-27 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-20050261500-A1 PROCESS FOR THE PRODUCTION OF OPIATES OPRM1, OPRK1, POP1 MRGPRX2 1648/4885OPRM1 1/4885OPRK1 2/4885

“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.