SCHEMBL45984

SCHEMBL45984

CN(CC1CC1)C1Cc2ccc(O)c3c2C2C(O3)C3(CCC21O)OCCO3

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.35
OPRM1 P35372 5/20 0.35
OPRK1 P41145 5/20 0.35
HCRTR1 O43613 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL13248804 1.00 OPRD1 (0.35) OPRD1OPRM1OPRK1HCRTR1TMEM97
SCHEMBL46005 0.89
SCHEMBL46013 0.89 OPRD1 (0.32) OPRD1OPRM1OPRK1
SCHEMBL10072374 0.88 HCRTR1 (0.42) OPRM1OPRK1HCRTR1
SCHEMBL10072368 0.87 OPRM1 (0.33) OPRD1OPRM1OPRK1HCRTR1TMEM97
SCHEMBL13660037 0.85 OPRM1 (0.35) OPRD1OPRM1OPRK1HCRTR1
SCHEMBL13248813 0.83
SCHEMBL46009 0.80 HCRTR1 (0.30) HCRTR1
SCHEMBL13963260 0.80
SCHEMBL13248811 0.78 OPRD1 (0.32) OPRD1OPRM1OPRK1

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-20120010412-A1 Process for the Synthesis of Substituted Morphinans ALKERMES, INC. (US) 2012-01-12 US disclosed
WO-2012005795-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHINANS ALKERMES, INC. (US) 2012-01-12 WO 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-20120010412-A1 Process for the Synthesis of Substituted Morphinans CYP1B1, DHPS, CYP4B1 OPRD1 1176/4885OPRM1 251/4885OPRK1 655/4885

“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.