SCHEMBL4586923

SCHEMBL4586923

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

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.89
OPRM1 P35372 6/20 0.89
MEN1 O00255 2/20 0.89
KMT2A Q03164 2/20 0.89
CYP3A4 P08684 2/20 0.89
CYP2D6 P10635 2/20 0.89
LMNA P02545 1/20 0.89
BLM P54132 1/20 0.89
PMP22 Q01453 1/20 0.89
CYP1A2 P05177 1/20 0.89
MAPT P10636 1/20 0.89
OPRK1 P41145 1/20 0.89
TDP1 Q9NUW8 1/20 0.89
NFKB1 P19838 1/20 0.89

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
Snc-80 SCHEMBL12019443 0.94 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL1514203 0.94 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL1514202 0.94 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL724753 0.94 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL3366042 0.94 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL7233538 0.94 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL29489341 0.94 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL4586159 0.90 CYP3A4 (0.84) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL6933018 0.89 CYP1A2 (0.88) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6937042 0.89 CYP1A2 (0.88) OPRD1OPRM1CYP3A4CYP1A2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450807-A4 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2008-06-25 EP disclosed
US-7030124-B2 Method of treating depression with delta receptor agonist compounds ARDENT PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
EP-1450807-A1 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
US-20030144299-A1 Method of treating depression with delta receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-07-31 US disclosed
WO-2003037342-A1 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-05-08 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 (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-20030144299-A1 Method of treating depression with delta receptor agonist compounds CHRND, CHRNE, CHRNA3 OPRD1 9/4885OPRM1 110/4885MEN1 4058/4885

“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.