SCHEMBL4575720

SCHEMBL4575720

CCN(CC)C(=O)c1ccccc1[C@H](c1cccc(O)c1)N1C[C@H](C)N(C)C[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL6933878 1.00 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL4576486 1.00 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL4575549 1.00 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6937305 1.00 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6932867 1.00 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9HPGDOPRM1
Hydrochloric Acid SCHEMBL6936025 0.99 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6936339 0.91 OPRM1 (0.47) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL4576030 0.91 OPRM1 (0.47) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6935969 0.91 OPRM1 (0.47) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6933232 0.91 OPRM1 (0.47) CYP1A2CYP3A4CYP2C9HPGDOPRM1

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 16 patents. 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
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-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

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 CYP1A2 751/4885CYP3A4 866/4885CYP2C9 1380/4885
US-20020111359-A1 Side effect reduction of narcotics OPRD1, OPRM1, OPRK1 CYP1A2 758/4885CYP3A4 814/4885CYP2C9 1635/4885
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 CYP1A2 751/4885CYP3A4 866/4885CYP2C9 1380/4885

“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.