SCHEMBL29620035

SCHEMBL29620035

c1ccc(C2CCCC23CCCCO3)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 5/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A9 P48067 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GRM5 P41594 1/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL18992619 0.83 DDB1 (0.33) DDB1CRBNGSK3BALDH1A1KDM4E
SCHEMBL18992892 0.76 JAK2 (0.32) GSK3BOPRM1MAPT
SCHEMBL5951384 0.76 ALDH1A1 (0.43) DDB1CRBNGSK3BALDH1A1KDM4E
SCHEMBL18992620 0.75 DDB1 (0.33) DDB1CRBNGSK3BALDH1A1KDM4E
SCHEMBL14363466 0.73 ALDH1A1 (0.41) DDB1CRBNGSK3BALDH1A1KDM4E
SCHEMBL30459575 0.72 ALDH1A1 (0.40) DDB1CRBNGSK3BALDH1A1KDM4E
SCHEMBL14862969 0.71 ALDH1A1 (0.42) DDB1CRBNGSK3BALDH1A1KDM4E
SCHEMBL23666072 0.71 OPRM1 (0.38) DDB1CRBNALDH1A1KDM4EOPRM1
SCHEMBL18992893 0.70 MAPT (0.34) DDB1CRBNOPRM1MAPTPDE10A
SCHEMBL12613616 0.69 OPRM1 (0.39) DDB1CRBNALDH1A1KDM4EOPRM1

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-11931350-B2 Opioid receptor ligands and methods of using and making same TREVENA, INC. (US) 2024-03-19 US disclosed
US-20220175747-A1 Opioid Receptor Ligands And Methods Of Using And Making Same TREVENA, INC. 2022-06-09 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 (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-20220175747-A1 Opioid Receptor Ligands And Methods Of Using And Making Same OPRL1, OPRK1, OPRM1 DDB1 4618/4885CRBN 4498/4885GSK3B 3631/4885
US-11931350-B2 Opioid receptor ligands and methods of using and making same OPRL1, OPRK1, OPRM1 DDB1 4618/4885CRBN 4498/4885GSK3B 3631/4885

“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.