SCHEMBL6399567

SCHEMBL6399567

CCN(CC)C(=O)c1ccc(NC2CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ROCK2 O75116 4/20 0.56
ROCK1 Q13464 2/20 0.56
CCR2 P41597 1/20 0.56
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 1/20 0.53
BCHE P06276 1/20 0.51

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) ROCK2ROCK1CCR2OPRM1OPRD1
SCHEMBL6393640 0.89 KDM4E (0.56) KDM4EROCK2ROCK1CCR2OPRM1
SCHEMBL5487610 0.88 OPRD1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL6153437 0.84 ROCK2 (0.60) ROCK2ROCK1CCR2BCHE
SCHEMBL5870954 0.81 ROCK2 (0.65) KDM4EROCK2ROCK1CCR2BCHE
SCHEMBL6395109 0.80 OPRD1 (0.68) OPRM1OPRD1OPRK1
SCHEMBL6156841 0.78 GAA (0.59) ROCK2ROCK1CCR2BCHE
SCHEMBL6394117 0.77 OPRD1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL658299 0.76 ROCK2 (0.62) ROCK2ROCK1CCR2
SCHEMBL6154433 0.76 LTA4H (0.61) ROCK2ROCK1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974825-B1 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2005-12-13 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 (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-20030055045-A1 Novel compounds with analgesic effect OPRM1, OPRL1, OPRK1 KDM4E 4181/4885ROCK2 3741/4885ROCK1 2877/4885

“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.