SCHEMBL20825353

SCHEMBL20825353

CCOC(=O)C(C#N)C1(c2ccccn2)CCOC2(CCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ OPRM1 P35372 19/20 0.41
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39

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
SCHEMBL31114270 0.90 OPRM1 (0.43) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL12541461 0.90 OPRM1 (0.43) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL28272416 0.85 OPRM1 (0.40) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL20825758 0.85 OPRM1 (0.34) MEN1GAAKMT2ASMN1; SMN2OPRM1
SCHEMBL29808294 0.85 OPRM1 (0.34) MEN1GAAKMT2ASMN1; SMN2OPRM1
SCHEMBL1812491 0.84 MEN1 (0.52) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL25007168 0.83 OPRM1 (0.38) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL28272471 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL11920606 0.82 SMN1; SMN2 (0.47) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL29968127 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1KCNH2SCN5A

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-3686198-B1 MU-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2022-12-14 — — EP disclosed
US-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2021-07-27 — — US disclosed
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-08-27 — — US disclosed
EP-3686198-A1 mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2020-07-29 — — EP disclosed
WO-2019052557-A1 μ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2019-03-21 — — 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-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine OPRM1, OPRD1, OPRK1 MEN1 4231/4885GAA 3312/4885KMT2A 3540/4885
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE OPRM1, OPRD1, OPRK1 MEN1 4382/4885GAA 3368/4885KMT2A 3545/4885

“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.

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