SCHEMBL20008762

SCHEMBL20008762

COCCOCCCCC(=O)NCCOc1ccc(C(=O)Oc2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2B P18089 1/20 0.39
OPRD1 P41143 1/20 0.39
SCN5A Q14524 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL20008745 0.91 ITGB3 (0.47) KMT2AMEN1HPGDSMN1; SMN2PRSS1
SCHEMBL20008747 0.88 KMT2A (0.49) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL20008744 0.85 FTO (0.46) KMT2AMEN1HPGDMAPTSMN1; SMN2
SCHEMBL20008758 0.84 ATM (0.42) KMT2AATMMAPTSMN1; SMN2KDM4E
SCHEMBL21119485 0.80 ATM (0.47) KMT2AMEN1HPGDATMMAPT
SCHEMBL20008741 0.79 ITGB3 (0.50) PRSS1ACRITGB3ITGA2B
SCHEMBL21920306 0.78 ITGB3 (0.45) KMT2AMEN1HPGDATMMAPT
SCHEMBL20008628 0.77 ITGB3 (0.53) PRSS1ACRITGB3ITGA2B
SCHEMBL20008743 0.77 TMPRSS2 (0.57) PRSS1ACR
SCHEMBL19261028 0.75 MEN1 (0.55) KMT2AMEN1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154549-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-03-26 US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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 (3 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-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 KMT2A 1946/4885MEN1 4875/4885HPGD 1106/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 KMT2A 1946/4885MEN1 4875/4885HPGD 1106/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 KMT2A 1946/4885MEN1 4875/4885HPGD 1106/4885

“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.