SCHEMBL5369447

SCHEMBL5369447

NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 0.56
CCR3 P51677 16/20 0.56
KDM4E B2RXH2 1/20 0.52
KCNH2 Q12809 12/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
FPR2 P25090 1/20 0.47
PROKR1 Q8TCW9 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
SCHEMBL5194926 0.92 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL5102799 0.92 HRH1 (0.59) HRH1CCR3KDM4EKCNH2SLC6A2
Trifluoroacetic Acid SCHEMBL6396297 0.88 CCR3 (0.53) HRH1CCR3KCNH2
SCHEMBL5656523 0.88 NPC1 (0.48) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL5189696 0.85 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL2921441 0.83 CCR3 (0.62) HRH1CCR3KCNH2
SCHEMBL7514185 0.83 HRH1 (0.52) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL5367457 0.83 HRH1 (0.52) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL14715703 0.82 HRH1 (0.50) HRH1CCR3KDM4EKCNH2
SCHEMBL14715736 0.82 HRH1 (0.50) HRH1CCR3KDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304077-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-12-04 US disclosed
US-7265227-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-09-04 US disclosed
US-20040176411-A1 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-20040102432-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1412330-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003018556-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 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-20040102432-A1 Chemical compounds CCL11, HRH1, HRH4 HRH1 2/4885CCR3 17/4885KDM4E 3437/4885
US-20040176411-A1 Piperidine derivatives useful as modulators of chemokine receptor activity CCRL2, CCR1, CCR3 HRH1 27/4885CCR3 3/4885KDM4E 3061/4885

“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.