SCHEMBL5082553

SCHEMBL5082553

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

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.79
OPRD1 P41143 5/20 0.79
CYP1A2 P05177 4/20 0.79
OPRM1 P35372 3/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
CYP2D6 P10635 2/20 0.79
OPRK1 P41145 2/20 0.79
LMNA P02545 1/20 0.79
BLM P54132 1/20 0.79
PMP22 Q01453 1/20 0.79
MAPT P10636 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
NFKB1 P19838 1/20 0.79
CYP2C9 P11712 3/20 0.72
HPGD P15428 3/20 0.72
SIGMAR1 Q99720 1/20 0.72
KDM4E B2RXH2 2/20 0.71
CYP2C19 P33261 2/20 0.71

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
SCHEMBL5136413 1.00 CYP3A4 (0.79) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL5082564 1.00 CYP3A4 (0.79) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL5082543 1.00 CYP3A4 (0.79) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL7093362 1.00 CYP3A4 (0.79) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL4575739 1.00 CYP3A4 (0.79) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL5082536 1.00 CYP3A4 (0.79) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL2750830 0.91 OPRD1 (0.68) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL2751381 0.91 OPRD1 (0.68) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL4575871 0.90 CYP3A4 (0.78) CYP3A4OPRD1CYP1A2OPRM1MEN1
SCHEMBL6935746 0.90 OPRD1 (0.77) CYP3A4OPRD1CYP1A2OPRM1MEN1

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-20080125443-A1 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME ENTA HOLDING LLC 2008-05-29 US disclosed
US-7314880-B2 Cardioprotective delta opioid receptor agonists and methods of using same MOUNT COOK BIOSCIENCES, INC. (US) 2008-01-01 US disclosed
US-20040171622-A1 Cardioprotective delta opioid receptor agonists and methods of using same DMK PHARMACEUTICALS CORPORATION 2004-09-02 US disclosed
WO-2004060321-A2 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME ARDENT PHARMACEUTICALS, INC. (US) 2004-07-22 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-20040171622-A1 Cardioprotective delta opioid receptor agonists and methods of using same OPRD1, OPRK1, OPRM1 CYP3A4 2593/4885OPRD1 1/4885CYP1A2 2152/4885
US-20080125443-A1 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME OPRD1, OPRK1, OPRM1 CYP3A4 2593/4885OPRD1 1/4885CYP1A2 2152/4885

“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.