Sugi Predict

Sugi Predict / Compounds / SCHEMBL4576012

SCHEMBL4576012

SCHEMBL4576012

CC(C)(C)[Si](C)(C)Oc1cccc(C(Cl)c2cccc(Br)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ PFKFB3 Q16875 1/20 0.31
▸ APLNR P35414 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ MAOB P27338 2/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ PREP P48147 1/20 0.30

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
SCHEMBL4576162 0.90 CA12 (0.36) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL8076860 0.86 CA12 (0.37) CA12CA1CA9IDO1TDO2
SCHEMBL232409 0.83 CA12 (0.45) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL4576483 0.81 CA12 (0.44) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL18540700 0.79 BRD4 (0.37) CA12CA1CA9IDO1TDO2
SCHEMBL15242469 0.79 CA1 (0.42) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL19745616 0.77 CA12 (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL9293197 0.77 GABRG2 (0.43) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6935956 0.76 LMNA (0.40) CA12CA1CA9GAAMAPT
SCHEMBL4576566 0.76 CA12 (0.36) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050255151-A1 Compositions and methods for reducing respiratory depression and attendant side effects of mu opioid compounds ENTA HOLDING LLC 2005-11-17 — — US disclosed
US-6919350-B2 Side effect reduction of narcotics ARDENT PHARMACEUTICALS, INC. (US) 2005-07-19 — — US disclosed
EP-0938317-B1 COMPOSITIONS FOR REDUCING RESPIRATORY DEPRESSION ARDENT PHARMACEUTICALS INC (US) 2004-03-03 — — EP disclosed
EP-0649414-B1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES ARDENT PHARMACEUTICALS INC (US) 2003-04-16 — — EP disclosed
US-20020111359-A1 Side effect reduction of narcotics ARDENT PHARMACEUTICALS, INC. (US) 2002-08-15 — — US disclosed
US-6300332-B1 DRUG MEDIATED RESPIRATORY DEPRESSION, MUSCLE RIGIDITY AND NAUSEA/VOMITING AND SIDE EFFECT REDUCTION DELTA PHARMACEUTICALS, INC. 2001-10-09 — — US disclosed
EP-1003373-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS INC (US) 2000-09-20 — — EP disclosed
EP-0938317-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS INC (US) 2000-08-23 — — EP disclosed
EP-0711289-B1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS INC (US) 2000-08-23 — — EP 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-5681830-A DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES DELTA PHARMACEUTICALS, INC. (US) 1997-10-28 — — US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 — — US disclosed
US-5574159-A DIARYLMETHYL PIPERAZINES, RECEPTOR BINDING DELTA PHARMACEUTICALS, INC. (US) 1996-11-12 — — US disclosed
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 — — US disclosed
EP-0711289-A1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS, INC. (US) 1996-05-15 — — EP disclosed
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 — — EP disclosed
WO-1995004051-A1 PIPERAZINE COMPOUNDS USED IN THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-09 — — WO 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 (3 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-20050255151-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-20020111359-A1 Side effect reduction of narcotics OPRD1, OPRM1, OPRK1 CA12 3471/4885CA1 2157/4885CA9 4610/4885
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

“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.