SCHEMBL4576487

SCHEMBL4576487

CC(C)(C)[Si](C)(C)Oc1cccc([Mg]Br)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PREP P48147 3/20 0.34

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
SCHEMBL3576398 0.85 CA12 (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL5352724 0.84
SCHEMBL7706827 0.83 CA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL9117953 0.80 HSP90AA1 (0.30) HSP90AA1HSP90AB1
SCHEMBL3182564 0.78 CA12 (0.46) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL1793777 0.78 PREP (0.44) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL4004898 0.77 CYP3A4 (0.47) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL232409 0.77 CA12 (0.45) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL2329760 0.77 ACHE (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL5292779 0.77 ACHE (0.45) CA12CA1CA9

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390281-A1 OPIOID FOR USE TO REDUCE AND/OR DRUG ADDICTION DMK PHARMACEUTICALS CORPORATION 2023-12-07 US disclosed
US-11779581-B2 Opioid for use to reduce and/or treat drug addiction DMK PHARMACEUTICALS CORPORATION (US) 2023-10-10 US disclosed
US-20220226312-A1 OPIOID FOR USE TO REDUCE AND/OR TREAT DRUG ADDICTION DMK PHARMACEUTICALS CORPORATION 2022-07-21 US disclosed
US-11246865-B2 Opioid for use to reduce and/or treat drug addiction VERSI GROUP, LLC (US) 2022-02-15 US disclosed
US-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE DMK PHARMACEUTICALS CORPORATION 2021-07-22 US disclosed
US-10973815-B2 Delta opioid agonist mu opioid antagonist compositions and methods for treating Parkinsons disease VERSI GROUP, LLC (US) 2021-04-13 US disclosed
US-20200121674-A1 AN OPIOID FOR USE TO REDUCE AND/OR TREAT DRUG ADDICTION DMK PHARMACEUTICALS CORPORATION 2020-04-23 US disclosed
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE DMK PHARMACEUTICALS CORPORATION 2019-02-07 US disclosed
EP-3436013-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE Versi Group, LLC (US) 2019-02-06 EP disclosed
WO-2018204163-A1 AN OPIOID FOR USE TO REDUCE AND/OR TREAT DRUG ADDICTION VERSI GROUP, LLC (US) 2018-11-08 WO disclosed
US-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed
EP-0983251-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Pfizer Limited (GB) 2000-03-08 EP disclosed
US-5998442-A ANTICHOLESTEROL AGENTS ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1998052929-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LIMITED (GB) 1998-11-26 WO disclosed
EP-0826683-A1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP 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 (8 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-20200121674-A1 AN OPIOID FOR USE TO REDUCE AND/OR TREAT DRUG ADDICTION OPRM1, OPRK1, OPRD1 CA12 4369/4885CA1 4210/4885CA9 4605/4885
US-10973815-B2 Delta opioid agonist mu opioid antagonist compositions and methods for treating Parkinsons disease OPRD1, OPRK1, OPRM1 CA12 3462/4885CA1 2379/4885CA9 4007/4885
US-11779581-B2 Opioid for use to reduce and/or treat drug addiction OPRM1, OPRK1, OPRD1 CA12 4400/4885CA1 4143/4885CA9 4681/4885
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 CA12 3462/4885CA1 2379/4885CA9 4007/4885
US-20230390281-A1 OPIOID FOR USE TO REDUCE AND/OR DRUG ADDICTION OPRM1, OPRK1, OPRD1 CA12 4536/4885CA1 4205/4885CA9 4732/4885
US-20220226312-A1 OPIOID FOR USE TO REDUCE AND/OR TREAT DRUG ADDICTION OPRM1, OPRK1, OPRD1 CA12 4400/4885CA1 4143/4885CA9 4681/4885
US-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 CA12 3709/4885CA1 2641/4885CA9 4145/4885
US-11246865-B2 Opioid for use to reduce and/or treat drug addiction OPRM1, OPRK1, OPRD1 CA12 4400/4885CA1 4143/4885CA9 4681/4885

“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.