SCHEMBL4575665

SCHEMBL4575665

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.49
OPRM1 P35372 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
OPRK1 P41145 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL8930440 1.00 OPRD1 (0.49) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4575510 1.00 OPRD1 (0.49) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4575489 0.92 OPRM1 (0.43) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4576440 0.92 OPRM1 (0.43) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4577095 0.90 OPRD1 (0.51) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4585756 0.88 OPRD1 (0.55) OPRD1OPRM1CYP1A2CYP3A4OPRK1
SCHEMBL8930420 0.86 CYP1A2 (0.61) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4576486 0.86 CYP1A2 (0.54) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4575720 0.86 CYP1A2 (0.54) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL6937305 0.86 CYP1A2 (0.54) OPRD1OPRM1CYP1A2CYP3A4CYP2C9

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-0938317-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP disclosed
EP-0938317-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1999-09-01 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885OPRM1 2/4885CYP1A2 751/4885
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP1A2 751/4885

“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.