SCHEMBL4576566

SCHEMBL4576566

CC(C)(C)[Si](C)(C)Oc1cccc(C(O)c2ccc(Br)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BRD4 O60885 2/20 0.35
ELANE P08246 1/20 0.35
IGF1R P08069 1/20 0.34
MAPK1 P28482 1/20 0.33
CREBBP Q92793 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL8076860 0.90 CA12 (0.37) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL18540700 0.89 BRD4 (0.37) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6936373 0.85 CA12 (0.34) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6936427 0.84 CA12 (0.33) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL2751386 0.84 SRD5A2 (0.39) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL4576162 0.83 CA12 (0.36) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6934902 0.83 CA1 (0.40) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6938201 0.82 HSP90AA1 (0.35) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6934917 0.81 SMN1; SMN2 (0.49) BRD4
SCHEMBL343105 0.81 CA12 (0.40) CA12CA1CA9HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2016-07-14 US disclosed
US-9296707-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2016-03-29 US disclosed
US-8865721-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2014-10-21 US disclosed
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC (US) 2014-01-30 US disclosed
US-8575169-B2 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-11-05 US disclosed
US-8551998-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-10-08 US disclosed
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds CHANG KWEN-JEN (US) 2013-02-28 US disclosed
EP-1469850-B1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2013-01-02 EP disclosed
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US disclosed
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS ENTA HOLDING LLC 2008-08-14 US disclosed
EP-0938317-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP disclosed
EP-1003373-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 2000-05-31 EP disclosed
US-5985880-A REDUCING, TREATING OR PREVENTING DRUG-MEDIATED RESPIRATORY DEPRESSION IN AN ANIMAL BY ADMINISTERING A .DELTA. RECEPTOR AGONIST COMPOUND DELTA PHARMACEUTICALS (US) 1999-11-16 US disclosed
EP-0938317-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1999-09-01 EP disclosed
WO-1999001033-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5807858-A DIARYLMETHYLPIPERAZINE AND PIPERIDINE COMPOUNDS; SIDE EFFECTREDUCTION OF ANALGESICS DELTA PHARMACEUTICAL, INC. (US) 1998-09-15 US disclosed
WO-1997046240-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1997-12-11 WO disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 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 (5 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-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CA12 4674/4885CA1 4488/4885CA9 4658/4885
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 CA12 3988/4885CA1 2872/4885CA9 4737/4885
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CA12 4674/4885CA1 4488/4885CA9 4658/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CA12 4674/4885CA1 4488/4885CA9 4658/4885
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 CA12 4322/4885CA1 4335/4885CA9 4637/4885

“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.