SCHEMBL5141891

SCHEMBL5141891

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

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.82
CYP3A4 P08684 4/20 0.82
OPRM1 P35372 4/20 0.82
CYP1A2 P05177 3/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
CYP2D6 P10635 2/20 0.82
OPRK1 P41145 2/20 0.82
LMNA P02545 1/20 0.82
BLM P54132 1/20 0.82
PMP22 Q01453 1/20 0.82
MAPT P10636 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
NFKB1 P19838 1/20 0.82
CYP2C9 P11712 2/20 0.73
HPGD P15428 2/20 0.73
SIGMAR1 Q99720 1/20 0.73
KDM4E B2RXH2 1/20 0.72
CYP2C19 P33261 1/20 0.72

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
SCHEMBL12018131 0.92 CYP3A4 (0.82) OPRD1CYP3A4OPRM1CYP1A2MEN1
SCHEMBL4576835 0.92 CYP3A4 (0.82) OPRD1CYP3A4OPRM1CYP1A2MEN1
Snc-80 SCHEMBL7233538 0.90 OPRD1 (1.00) OPRD1CYP3A4OPRM1CYP1A2MEN1
Snc-80 SCHEMBL12019443 0.90 OPRD1 (1.00) OPRD1CYP3A4OPRM1CYP1A2MEN1
Snc-80 SCHEMBL29489341 0.90 OPRD1 (1.00) OPRD1CYP3A4OPRM1CYP1A2MEN1
Snc-80 SCHEMBL724753 0.90 OPRD1 (1.00) OPRD1CYP3A4OPRM1CYP1A2MEN1
Snc-80 SCHEMBL1514202 0.90 OPRD1 (1.00) OPRD1CYP3A4OPRM1CYP1A2MEN1
Snc-80 SCHEMBL1514203 0.90 OPRD1 (1.00) OPRD1CYP3A4OPRM1CYP1A2MEN1
Snc-80 SCHEMBL3366042 0.90 OPRD1 (1.00) OPRD1CYP3A4OPRM1CYP1A2MEN1
SCHEMBL6935931 0.87 CYP3A4 (0.85) OPRD1CYP3A4OPRM1CYP1A2MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2016-07-14 US disclosed
US-9296707-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2016-03-29 US disclosed
US-8865721-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2014-10-21 US disclosed
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC (US) 2014-01-30 US disclosed
US-8575169-B2 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-11-05 US disclosed
US-8551998-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-10-08 US disclosed
US-8476280-B2 Modulate contraction, relaxation of muscles VERSI GROUP, LLC (US) 2013-07-02 US disclosed
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US disclosed
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 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 (4 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-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP3A4 675/4885OPRM1 2/4885
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP3A4 675/4885OPRM1 2/4885
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP3A4 675/4885OPRM1 2/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP3A4 675/4885OPRM1 2/4885

“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.