SCHEMBL4576489

SCHEMBL4576489

CCN(CC)C(=O)c1ccc([C@H](c2cccc(O)c2)N2C[C@H](C)N(C)C[C@H]2C)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.74
CYP3A4 P08684 3/20 0.74
CYP2C9 P11712 2/20 0.74
HPGD P15428 2/20 0.74
OPRM1 P35372 1/20 0.74
OPRD1 P41143 1/20 0.74
OPRK1 P41145 1/20 0.74
SIGMAR1 Q99720 1/20 0.74
KDM4E B2RXH2 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL6369326 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6932871 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6933662 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6935934 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6129119 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL8930479 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL4575554 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6933883 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9HPGDOPRM1
Hydrochloric Acid SCHEMBL6936028 0.99 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL8930438 0.93 CYP1A2 (0.64) 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 27 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 claimed
US-6919350-B2 Side effect reduction of narcotics ARDENT PHARMACEUTICALS, INC. (US) 2005-07-19 US claimed
EP-0938317-B1 COMPOSITIONS FOR REDUCING RESPIRATORY DEPRESSION ARDENT PHARMACEUTICALS INC (US) 2004-03-03 EP claimed
US-20020111359-A1 Side effect reduction of narcotics ARDENT PHARMACEUTICALS, INC. (US) 2002-08-15 US claimed
US-6300332-B1 DRUG MEDIATED RESPIRATORY DEPRESSION, MUSCLE RIGIDITY AND NAUSEA/VOMITING AND SIDE EFFECT REDUCTION DELTA PHARMACEUTICALS, INC. 2001-10-09 US claimed
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 claimed
EP-0938317-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP claimed
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 claimed
EP-0938317-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1999-09-01 EP claimed
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 claimed
US-5807858-A DIARYLMETHYLPIPERAZINE AND PIPERIDINE COMPOUNDS; SIDE EFFECTREDUCTION OF ANALGESICS DELTA PHARMACEUTICAL, INC. (US) 1998-09-15 US claimed
WO-1997046240-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1997-12-11 WO claimed
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-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-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 (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.