SCHEMBL5487610

SCHEMBL5487610

CCN(CC)C(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.61
OPRM1 P35372 7/20 0.61
OPRK1 P41145 5/20 0.61
LTA4H P09960 1/20 0.60

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
SCHEMBL6399559 0.94 OPRD1 (0.58) OPRD1OPRM1OPRK1LTA4H
SCHEMBL6399567 0.88 KDM4E (0.59) OPRD1OPRM1OPRK1
SCHEMBL6394117 0.88 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL5630413 0.86 LTA4H (0.60) LTA4H
SCHEMBL4229314 0.84 LTA4H (0.80) LTA4H
SCHEMBL8070227 0.82 ALDH1A1 (0.68) LTA4H
SCHEMBL6153555 0.82 LTA4H (0.66) OPRK1LTA4H
SCHEMBL14492922 0.82 POLB (0.52) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6157025 0.81 LTA4H (0.65) OPRK1LTA4H
SCHEMBL6394863 0.80 OPRD1 (0.88) 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 14 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
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
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-6974825-B1 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2005-12-13 US 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
EP-1428821-A1 Piperidin-4-yl amines with analgesic effect AstraZeneca AB (SE) 2004-06-16 EP disclosed
EP-0946510-B1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRAZENECA AB (SE) 2004-05-12 EP disclosed
US-6710179-B2 FOR THERAPY OF PAIN ASTRAZENECA CANADA INC. (CA) 2004-03-23 US disclosed
US-20030055045-A1 Novel compounds with analgesic effect ASTRA PHARMA INC. 2003-03-20 US disclosed
US-6399635-B1 N,N-DIETHYL-4-(N-PIPERIDIN-3-YL-ANILINO) BENZAMIDE COMPOUND; REDUCTIVE AMINATION OF A 3-PIPERIDONE, ARYLATION ASTRAZENECA CANADA INC. (CA) 2002-06-04 US disclosed
US-6153626-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-11-28 US disclosed
EP-0946510-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-10-06 EP disclosed
WO-1998028270-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1998-07-02 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 (2 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-20030055045-A1 Novel compounds with analgesic effect OPRM1, OPRL1, OPRK1 OPRD1 4/4885OPRM1 1/4885OPRK1 3/4885
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.