SCHEMBL5404094

SCHEMBL5404094

Cc1c(OC2CCN(C3CCN(S(=O)(=O)NC(=O)c4ccc(F)cc4)CC3)CC2)ccc(Cl)c1Cl

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 17/20 0.72
CCR3 P51677 17/20 0.72
KCNH2 Q12809 3/20 0.72
SCN9A Q15858 1/20 0.42
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5406026 0.93 CCR3 (0.84) HRH1CCR3KCNH2SCN9ACYP2D6
SCHEMBL5414782 0.93 CCR3 (0.75) HRH1CCR3KCNH2SCN9A
SCHEMBL5420702 0.93 HRH1 (0.75) HRH1CCR3KCNH2SCN9A
SCHEMBL5416894 0.91 HRH1 (0.86) HRH1CCR3KCNH2
SCHEMBL5416052 0.90 HRH1 (0.71) HRH1CCR3KCNH2CYP2D6
SCHEMBL5409347 0.90 HRH1 (0.70) HRH1CCR3KCNH2SCN9AKDM4E
SCHEMBL5417360 0.90 HRH1 (0.70) HRH1CCR3KCNH2SCN9A
SCHEMBL5416060 0.86 HRH1 (0.62) HRH1CCR3KCNH2SCN9AHTT
SCHEMBL5403946 0.86 CCR3 (0.86) HRH1CCR3KCNH2
SCHEMBL5420364 0.86 CCR3 (0.86) HRH1CCR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307090-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-12-11 US claimed
EP-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP claimed
US-20040235894-A1 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-11-25 US claimed
US-7307090-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-12-11 US disclosed
EP-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP disclosed
EP-1604982-A1 INTERMEDIATES FOR THE PREPARATION OF PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2005-12-14 EP disclosed
US-20040235894-A1 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-11-25 US 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-20040235894-A1 Piperidine derivatives useful as modulators of chemokine receptor activity CCR1, CCR3, CCRL2 HRH1 25/4885CCR3 2/4885KCNH2 1672/4885

“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.