SCHEMBL6399889

SCHEMBL6399889

COc1cccc2cc(C(=O)NCCN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)oc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.65
RXFP1 Q9HBX9 1/20 0.65
DRD3 P35462 6/20 0.57
DRD2 P14416 5/20 0.57
DRD4 P21917 1/20 0.57
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HRH1 P35367 2/20 0.48
KCNH2 Q12809 2/20 0.48
CHRNA7 P36544 1/20 0.47

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
SCHEMBL6397263 0.92 CCR3 (0.59) CCR3RXFP1DRD3DRD2DRD4
SCHEMBL6396607 0.84 CCR3 (0.68) CCR3DRD3DRD2HDAC1HDAC2
SCHEMBL6394746 0.83 CCR3 (0.71) CCR3DRD2DRD4HRH1KCNH2
SCHEMBL6398613 0.81 CCR3 (0.63) CCR3HRH1KCNH2
SCHEMBL6401584 0.80 CCR3 (0.78) CCR3DRD4HRH1KCNH2
SCHEMBL6837594 0.80 RXFP1 (1.00) RXFP1DRD3DRD2DRD4ADORA2A
SCHEMBL5658825 0.79 CCR3 (1.00) CCR3DRD2DRD4HRH1KCNH2
SCHEMBL6398846 0.79 CCR3 (0.65) CCR3HRH1KCNH2
SCHEMBL6397907 0.79 CCR3 (0.82) CCR3HRH1KCNH2
Hydrochloric Acid SCHEMBL6399917 0.78 CCR3 (0.98) CCR3DRD2DRD4HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US claimed
JP-2002540204-A 2002-11-26 JP claimed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP claimed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO claimed
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US disclosed
US-6518286-B1 Piperidinyl compounds for modulation of immune and inflammatory responses in various diseases and disorders, including asthma ASTRAZENECA AB (SE) 2003-02-11 US disclosed
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 CN disclosed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP disclosed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 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-20030134840-A1 Novel compounds RPS4X, RPS4Y1, CYP4B1 CCR3 894/4885RXFP1 50/4885DRD3 300/4885

“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.