SCHEMBL5493796

SCHEMBL5493796

CCN(CC)C(=O)c1ccccc1N(c1cccc(C#N)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.48
OPRM1 P35372 12/20 0.48
OPRK1 P41145 10/20 0.45

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
SCHEMBL5490000 0.88 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL14492938 0.87 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL5488298 0.87 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL5879336 0.76 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL6325251 0.76 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL14492935 0.75 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL5488301 0.74 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL6327827 0.73 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL5492915 0.73 OPRD1 (0.76) OPRD1OPRM1OPRK1
SCHEMBL5879367 0.72 OPRD1 (0.43) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226933-B2 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-06-05 US disclosed
EP-1395555-B1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-12-21 EP disclosed
US-20040235897-A1 4-(Phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders BROWN WILLIAM (CA) 2004-11-25 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-20040235897-A1 4-(Phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR1D, HTR2C, HTR3C OPRD1 6/4885OPRM1 5/4885OPRK1 7/4885

“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.