SCHEMBL4576328

SCHEMBL4576328

C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
CYP1A2 P05177 4/20 1.00
OPRD1 P41143 4/20 1.00
CYP2C9 P11712 3/20 1.00
HPGD P15428 3/20 1.00
OPRM1 P35372 2/20 1.00
OPRK1 P41145 2/20 1.00
SIGMAR1 Q99720 1/20 1.00
KDM4E B2RXH2 2/20 0.83
CYP2C19 P33261 2/20 0.83
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
CYP2D6 P10635 2/20 0.80
LMNA P02545 1/20 0.80
BLM P54132 1/20 0.80
PMP22 Q01453 1/20 0.80
MAPT P10636 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
NFKB1 P19838 1/20 0.80

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
SCHEMBL6934906 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL29457703 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL6933968 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL6557492 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL4575410 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL232128 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL232384 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL232385 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL12019442 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL232127 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD

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 4 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
US-6300332-B1 DRUG MEDIATED RESPIRATORY DEPRESSION, MUSCLE RIGIDITY AND NAUSEA/VOMITING AND SIDE EFFECT REDUCTION DELTA PHARMACEUTICALS, INC. 2001-10-09 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 (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 CYP3A4 866/4885CYP1A2 751/4885OPRD1 1/4885
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 866/4885CYP1A2 751/4885OPRD1 1/4885

“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.