SCHEMBL4586159

SCHEMBL4586159

C=CCN1C[C@H](C)N([C@H](c2ccccc2)c2cccc(C(=O)N(CC)CC)c2)C[C@H]1C

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.84
CYP1A2 P05177 4/20 0.84
OPRD1 P41143 4/20 0.84
CYP2C9 P11712 3/20 0.84
HPGD P15428 3/20 0.84
KDM4E B2RXH2 2/20 0.84
CYP2C19 P33261 2/20 0.84
OPRM1 P35372 2/20 0.79
OPRK1 P41145 2/20 0.79
SIGMAR1 Q99720 1/20 0.79
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
CYP2D6 P10635 2/20 0.75
LMNA P02545 1/20 0.75
BLM P54132 1/20 0.75
PMP22 Q01453 1/20 0.75
MAPT P10636 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
NFKB1 P19838 1/20 0.75

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
SCHEMBL6937042 0.93 CYP1A2 (0.88) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL6933018 0.93 CYP1A2 (0.88) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL4576055 0.93 CYP1A2 (0.88) CYP3A4CYP1A2OPRD1CYP2C9HPGD
Hydrochloric Acid SCHEMBL8930452 0.92 CYP1A2 (0.87) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL4576186 0.91 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL14343894 0.91 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL29457716 0.91 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL12018004 0.91 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL4586923 0.90 OPRD1 (0.89) CYP3A4CYP1A2OPRD1OPRM1OPRK1
SCHEMBL9541226 0.88 CYP3A4 (0.82) CYP3A4CYP1A2OPRD1CYP2C9HPGD

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 CYP3A4 3126/4885CYP1A2 2383/4885OPRD1 9/4885

“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.