SCHEMBL21383340

SCHEMBL21383340

COc1cccc(C23CCCC(C2C=O)N(C)CC3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.54
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 1/20 0.53
OPRK1 P41145 3/20 0.51
OPRD1 P41143 2/20 0.51
SIGMAR1 Q99720 5/20 0.49
GRIN2D O15399 3/20 0.49
GRIN3B O60391 3/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2B Q13224 3/20 0.49
GRIN2C Q14957 3/20 0.49
GRIN3A Q8TCU5 3/20 0.49
CYP2D6 P10635 2/20 0.49
OPRM1 P35372 2/20 0.49
SLC22A1 O15245 1/20 0.49
ADRA2A P08913 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2C P18825 1/20 0.49
TACR1 P25103 1/20 0.49

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
SCHEMBL29576932 0.84 OPRM1 (0.60) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL6290697 0.83 OPRK1 (0.71) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL6290696 0.83 OPRK1 (0.71) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL6290699 0.83 OPRK1 (0.71) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL21383314 0.81 OPRD1 (0.53) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL21383313 0.81 OPRD1 (0.53) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL11086789 0.79 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL11248997 0.74 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL11251511 0.74 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3OPRK1OPRD1
SCHEMBL11249000 0.74 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768679-B1 BIASED POTENT OPIOID-LIKE AGONISTS AS IMPROVED MEDICATIONS TO TREAT CHRONIC AND ACUTE PAIN AND METHODS OF USING THE SAME US HEALTH (US) 2024-06-26 EP disclosed
US-11352365-B2 Biased potent opioid-like agonists as improved medications to treat chronic and acute pain and methods of using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-06-07 US disclosed
US-20210024532-A1 BIASED POTENT OPIOID-LIKE AGONISTS AS IMPROVED MEDICATIONS TO TREAT CHRONIC AND ACUTE PAIN AND METHODS OF USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US disclosed
EP-3768679-A1 BIASED POTENT OPIOID-LIKE AGONISTS AS IMPROVED MEDICATIONS TO TREAT CHRONIC AND ACUTE PAIN AND METHODS OF USING THE SAME The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2021-01-27 EP disclosed
WO-2019182950-A1 BIASED POTENT OPIOID-LIKE AGONISTS AS IMPROVED MEDICATIONS TO TREAT CHRONIC AND ACUTE PAIN AND METHODS OF USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-09-26 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 (2 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-20210024532-A1 BIASED POTENT OPIOID-LIKE AGONISTS AS IMPROVED MEDICATIONS TO TREAT CHRONIC AND ACUTE PAIN AND METHODS OF USING THE SAME OPRL1, OPRK1, OPRM1 SLC6A4 523/4885SLC6A2 731/4885SLC6A3 369/4885
US-11352365-B2 Biased potent opioid-like agonists as improved medications to treat chronic and acute pain and methods of using the same OPRL1, OPRK1, OPRM1 SLC6A4 523/4885SLC6A2 731/4885SLC6A3 369/4885

“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.