SCHEMBL20008749

SCHEMBL20008749

N=C(N)Nc1ccc(OC(=O)c2ccc(OCCN)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
PRSS1 P07477 7/20 0.47
ACR P10323 2/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TMPRSS2 O15393 1/20 0.42
F2 P00734 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41

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
SCHEMBL10956570 0.87 KMT2A (0.56) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL26047446 0.86 PRSS1 (0.45) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL9617543 0.85 HRH3 (0.54) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL20008761 0.85 PRSS1 (0.62) PRSS1ACRTMPRSS2F2
SCHEMBL11316711 0.83 PARP10 (0.61) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL20008747 0.82 KMT2A (0.49) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL7328271 0.82 ACR (0.58) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL11569991 0.82 KMT2A (0.54) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL3675089 0.81 KMT2A (0.69) KMT2APRSS1ACRMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL7330789 0.81 ACR (0.59) KMT2APRSS1ACRMEN1SMN1; 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 5 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-10335406-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-07-02 US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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 (4 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 1946/4885PRSS1 952/4885ACR 4881/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 KMT2A 1946/4885PRSS1 952/4885ACR 4881/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 KMT2A 1946/4885PRSS1 952/4885ACR 4881/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 KMT2A 1946/4885PRSS1 952/4885ACR 4881/4885

“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.