SCHEMBL5080374

SCHEMBL5080374

CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2C[C@@H](C)N(Cc3ccc(C(=O)OC)cc3)C[C@@H]2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 1/20 0.71
HPGD P15428 1/20 0.71
OPRM1 P35372 1/20 0.71
OPRK1 P41145 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL5080369 1.00 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4577159 0.92 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5078483 0.92 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4591150 0.92 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL29457725 0.91 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL17158189 0.91 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12018159 0.91 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5143696 0.91 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4577164 0.91 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4577085 0.91 OPRD1 (0.72) 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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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-20080125443-A1 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME OPRD1, OPRK1, OPRM1 OPRD1 1/4885CYP1A2 2152/4885CYP3A4 2593/4885

“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.