SCHEMBL14617396

SCHEMBL14617396

C=CCN(CCC)C1Cc2ccc(C)c3c2C2C(O3)C(O)CC[C@]21O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HCRTR1 O43613 3/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL20170745 0.82 HCRTR1 (0.42) OPRM1OPRD1OPRK1HCRTR1HTR1A
SCHEMBL14617397 0.81 HTR1A (0.33) HTR1DHTR1BOPRM1OPRD1OPRK1
SCHEMBL12945079 0.74 HCRTR1 (0.44) OPRM1OPRD1OPRK1HCRTR1HTR1A
SCHEMBL19937935 0.73 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL14161022 0.72 HCRTR1 (0.37) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL13151725 0.71 OPRM1 (0.36) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL13067353 0.71 OPRM1 (0.36) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL13376201 0.71 OPRM1 (0.36) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL12945081 0.70 OPRD1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL14161147 0.70 HCRTR1 (0.40) HCRTR1

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-8563726-B2 Stereoselective reduction of a morphinone NEKTAR THERAPEUTICS (US) 2013-10-22 US disclosed
US-20130018190-A1 STEREOSELECTIVE REDUCTION OF A MORPHINONE NEKTAR THERAPEUTICS (US) 2013-01-17 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-20130018190-A1 STEREOSELECTIVE REDUCTION OF A MORPHINONE SORD, ADH1C, ADH1A HTR1D 1343/4885HTR1B 976/4885OPRM1 174/4885

“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.