SCHEMBL6397121

SCHEMBL6397121

O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 15/20 0.61
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HRH1 P35367 14/20 0.54
KCNH2 Q12809 11/20 0.52
CCR1 P32246 1/20 0.51
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6404520 0.88 CCR3 (0.68) CCR3HRH1KCNH2CCR1
SCHEMBL6399898 0.86 CCR3 (0.67) CCR3MEN1KMT2AHRH1KCNH2
SCHEMBL6404481 0.85 CCR3 (0.65) CCR3HRH1KCNH2CCR1
SCHEMBL6398901 0.85 CCR3 (0.68) CCR3HRH1KCNH2CCR1
Hydrochloric Acid SCHEMBL5657083 0.84 CCR3 (0.64) CCR3HRH1KCNH2CCR1
SCHEMBL6401180 0.84 CCR3 (0.69) CCR3HRH1KCNH2CCR1
SCHEMBL6394746 0.83 CCR3 (0.71) CCR3HRH1KCNH2CCR1
SCHEMBL6395839 0.83 CCR3 (0.66) CCR3HRH1KCNH2
SCHEMBL6403978 0.83 CCR3 (0.66) CCR3HRH1KCNH2
SCHEMBL6404498 0.83 CCR3 (0.66) CCR3MEN1KMT2AHRH1KCNH2

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 12 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
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 claimed
JP-2002540204-A 2002-11-26 JP claimed
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 CN 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 894/4885MEN1 632/4885KMT2A 2192/4885

“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.