SCHEMBL3583025

SCHEMBL3583025

C[C@@H]1CN[C@@H](C)CN1Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ MLNR O43193 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 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
SCHEMBL4584828 1.00 SIGMAR1 (0.52) SIGMAR1ALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL4596584 1.00 SIGMAR1 (0.52) SIGMAR1ALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL18411348 0.84 SIGMAR1 (0.53) SIGMAR1MEN1KMT2A
SCHEMBL14460139 0.83 SIGMAR1 (0.52) SIGMAR1ALDH1A1KMT2A
SCHEMBL13936121 0.83 SIGMAR1 (0.52) SIGMAR1ALDH1A1KMT2A
SCHEMBL14401346 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL5058871 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL3165725 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL4678046 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR
SCHEMBL5060895 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-10071093-B2 Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity VERSI GROUP, LLC (US) 2018-09-11 — — US disclosed
US-20170290823-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY DMK PHARMACEUTICALS CORPORATION 2017-10-12 — — US disclosed
WO-2017173067-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE VERSI GROUP, LLC (US) 2017-10-05 — — WO disclosed
WO-2017173067-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE VERSI GROUP, LLC (US) 2017-10-05 — — WO disclosed
US-9701645-B2 Method of treating Parkinson's disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity VERSI GROUP, LLC (US) 2017-07-11 — — US disclosed
US-20140315922-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY VERSI GROUP, LLC (US) 2014-10-23 — — US disclosed
US-8642599-B2 Method of treating Parkinson's Disease with diarylmethylpiperazine compounds exhibiting delta receptor agonist activity VERSI GROUP, LLC (US) 2014-02-04 — — US disclosed
US-8476280-B2 Modulate contraction, relaxation of muscles VERSI GROUP, LLC (US) 2013-07-02 — — US disclosed
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 — — US disclosed
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 — — US disclosed
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 — — US disclosed
US-20070066625-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY DMK PHARMACEUTICALS CORPORATION 2007-03-22 — — US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 — — US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 — — US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 — — 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 (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-10973815-B2 Delta opioid agonist mu opioid antagonist compositions and methods for treating Parkinsons disease OPRD1, OPRK1, OPRM1 SIGMAR1 13/4885ALDH1A1 2024/4885SMN1; SMN2 251/4885
US-20170290823-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 SIGMAR1 9/4885ALDH1A1 2179/4885SMN1; SMN2 386/4885
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 SIGMAR1 13/4885ALDH1A1 2024/4885SMN1; SMN2 251/4885
US-10071093-B2 Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity OPRD1, OPRM1, OPRK1 SIGMAR1 9/4885ALDH1A1 2179/4885SMN1; SMN2 386/4885
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof OPRL1, OPRD1, OPRK1 SIGMAR1 5/4885ALDH1A1 3383/4885SMN1; SMN2 1087/4885
US-20140315922-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 SIGMAR1 9/4885ALDH1A1 2179/4885SMN1; SMN2 386/4885
US-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 SIGMAR1 13/4885ALDH1A1 2158/4885SMN1; SMN2 225/4885
US-20070066625-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 SIGMAR1 16/4885ALDH1A1 2163/4885SMN1; SMN2 398/4885

“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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