SCHEMBL4585703

SCHEMBL4585703

CCN(CC)C(=O)c1ccccc1[C@H](c1ccccc1)N1C[C@@H](C)N(Cc2ccc(Br)cc2)C[C@@H]1C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.56
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C9 P11712 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP2C19 P33261 2/20 0.52
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4585767 0.93 OPRD1 (0.58) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4576743 0.92 OPRD1 (0.57) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4616845 0.92 OPRD1 (0.57) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL7617589 0.92 OPRD1 (0.54) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4585705 0.91 OPRD1 (0.56) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4598438 0.89 OPRD1 (0.55) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4591589 0.89 OPRD1 (0.54) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4585707 0.87 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL15080470 0.87 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4591360 0.87 OPRD1 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501513-B1 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS VERSI GROUP LLC (US) 2014-04-16 EP disclosed
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 9/4885CYP1A2 2383/4885CYP3A4 3126/4885

“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.