SCHEMBL4576485

SCHEMBL4576485

C=CCN1C[C@@H](C)N([C@H](c2cccc(O)c2)c2cccc(Br)c2)C[C@@H]1C

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
OPRM1 P35372 1/20 0.66
OPRK1 P41145 1/20 0.66
SIGMAR1 Q99720 1/20 0.66

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
SCHEMBL8078643 1.00 OPRD1 (0.66) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4576479 1.00 OPRD1 (0.66) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6938770 1.00 OPRD1 (0.66) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6932490 0.93 OPRD1 (0.70) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6933953 0.93 OPRD1 (0.70) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6932895 0.93 OPRD1 (0.70) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6932487 0.93 OPRD1 (0.70) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6935725 0.90 OPRD1 (0.60) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6935728 0.90 OPRD1 (0.60) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575609 0.90 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD

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 8 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
US-6300332-B1 DRUG MEDIATED RESPIRATORY DEPRESSION, MUSCLE RIGIDITY AND NAUSEA/VOMITING AND SIDE EFFECT REDUCTION DELTA PHARMACEUTICALS, INC. 2001-10-09 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 (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 OPRD1 1/4885CYP1A2 751/4885CYP3A4 866/4885
US-20020111359-A1 Side effect reduction of narcotics OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 758/4885CYP3A4 814/4885
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 751/4885CYP3A4 866/4885

“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.