SCHEMBL5414237

SCHEMBL5414237

CC(C)(C)OC(=O)N1CCC(C#N)(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.45
▸ ALK Q9UM73 1/20 0.44
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ HRH1 P35367 8/20 0.42
▸ CCR3 P51677 8/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL5406049 0.86 GPR119 (0.48) GPR119HRH3ALKNPBWR1MCHR1
SCHEMBL3282383 0.85 GPR119 (0.59) GPR119HRH3NPBWR1MCHR1HRH1
SCHEMBL2585041 0.83 FFAR4 (0.53) GPR119HRH3HRH1CCR3CHEK2
SCHEMBL5462103 0.81 GPR119 (0.58) GPR119HRH3NPBWR1MCHR1HRH1
SCHEMBL5194646 0.80 CCR3 (0.47) GPR119HRH3HRH1CCR3KCNH2
SCHEMBL4720822 0.79 HRH1 (0.62) GPR119HRH3HRH1CCR3KCNH2
SCHEMBL3283465 0.79 GPR119 (0.64) GPR119HRH3ALKNPBWR1MCHR1
SCHEMBL4140781 0.77 HRH1 (0.64) HRH1CCR3KCNH2
SCHEMBL20570284 0.76 GPR119 (0.57) GPR119HRH3ALKNPBWR1MCHR1
SCHEMBL648469 0.76 HPGD (0.41) GPR119

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 4 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 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 GPR119 833/4885HRH3 24/4885ALK 1364/4885

“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.

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