SCHEMBL3844407

SCHEMBL3844407

O=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.72
OPRK1 P41145 9/20 0.72
OPRM1 P35372 7/20 0.72
CYP2D6 P10635 3/20 0.59
CHRNA7 P36544 1/20 0.59
CYP1A2 P05177 1/20 0.59
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
LMNA P02545 2/20 0.57
HIF1A Q16665 1/20 0.57
PDE4D Q08499 1/20 0.57
MRGPRX2 Q96LB1 1/20 0.57

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
SCHEMBL16312089 1.00 OPRD1 (0.72) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL25681504 1.00 OPRD1 (0.72) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL22892792 1.00 OPRD1 (0.72) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL12303427 1.00 OPRD1 (0.72) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL3844397 1.00 OPRD1 (0.72) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL14066449 1.00 OPRD1 (0.72) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL11364275 0.96 OPRD1 (0.70) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL11364281 0.96 OPRD1 (0.70) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL24894803 0.90 OPRD1 (0.61) OPRD1OPRK1OPRM1CYP2D6CHRNA7
SCHEMBL1756099 0.89 OPRD1 (0.59) OPRD1OPRK1OPRM1CYP2D6CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554282-A2 MORPHINAN DERIVATIVES THE QUATERNARY AMMONIUM SALTS THEREOF SUBSTITUTED IN POSITION 14, METHOD FOR PRODUCTION AND USE THEREOF ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-07-20 EP claimed
WO-2004005294-A2 MORPHINAN DERIVATIVES THE QUATERNARY AMMONIUM SALTS THEREOF SUBSTITUTED IN POSITION 14, METHOD FOR PRODUCTION AND USE THEREOF ALCASYNN PHARMACEUTICALS GMBH (AT) 2004-01-15 WO claimed
EP-2099456-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS Progenics Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
US-20080234306-A1 N-Oxides of 4,5-Epoxy-Morphinanium Analogs PROGENICS PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
WO-2008070462-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-12 WO disclosed
US-4272541-A 7,8 and 7-8 Substituted 4,5α-epoxymorphinan-6-one compounds, and methods of treating pain and drug dependence with them MILES LABORATORIES, INC. (US) 1981-06-09 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-20080234306-A1 N-Oxides of 4,5-Epoxy-Morphinanium Analogs OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRK1 3/4885OPRM1 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.