SCHEMBL20544827

SCHEMBL20544827

[CH2]c1cnc(Cl)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
PGK1 P00558 2/20 0.34
ENPP1 P22413 2/20 0.33
AURKA O14965 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
PDGFRB P09619 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
SCHEMBL25410559 0.78 CHRNB2 (0.44) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27759682 0.77 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13928210 0.77 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28163866 0.75 FYN (0.42) ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL31168643 0.75 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29764952 0.75 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL114842 0.75 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7412305 0.75 CYP3A4 (0.45) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL608749 0.75 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2122632 0.75 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KDM4E

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-11077098-B2 Opioid receptor ligands and methods of using and making same TREVENA, INC. (US) 2021-08-03 US disclosed
US-20180311222-A1 Opioid Receptor Ligands And Methods Of Using And Making Same TREVENA, INC. 2018-11-01 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-20180311222-A1 Opioid Receptor Ligands And Methods Of Using And Making Same OPRL1, OPRK1, OPRM1 CHRNB2 127/4885CHRNA4 104/4885ALDH1A1 1225/4885
US-11077098-B2 Opioid receptor ligands and methods of using and making same OPRL1, OPRK1, OPRM1 CHRNB2 127/4885CHRNA4 104/4885ALDH1A1 1225/4885

“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.