SCHEMBL4047068

SCHEMBL4047068

CCNC(=O)Nc1ccccc1OCC1CCCN(CCCC(=O)c2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 2/20 0.45
HTR2A P28223 2/20 0.45
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD1 P21728 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
DRD2 P14416 2/20 0.44

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
SCHEMBL4046284 0.90 CHRNB2 (0.52) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4048064 0.90 CHRNB2 (0.52) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4053431 0.90 CHRNB2 (0.52) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4049282 0.89 DRD2 (0.48) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4047788 0.88 ALDH1A1 (0.47) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4052789 0.87 DRD2 (0.50) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4054675 0.84 CHRNB4 (0.53) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4054869 0.83 DRD2 (0.48) ALDH1A1POLBHTR2AMEN1DRD3
SCHEMBL4051698 0.83 ALDH1A1 (0.50) ALDH1A1POLBHTR2AMEN1CHRM2
SCHEMBL4045253 0.82 ALDH1A1 (0.49) ALDH1A1POLBHTR2AMEN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421070-B1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-11-26 EP claimed
US-20040209879-A1 Piperidinyl derivates as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-10-21 US claimed
EP-2020409-A1 New piperidinyl derivatives as modulators of chemokine receptor activity AstraZeneca AB (SE) 2009-02-04 EP disclosed
EP-1421070-B1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-11-26 EP disclosed
US-20040209879-A1 Piperidinyl derivates as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-10-21 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-20040209879-A1 Piperidinyl derivates as modulators of chemokine receptor activity CCR2, CXCR1, CCR5 CCR3 9/4885ALDH1A1 978/4885POLB 2059/4885

“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.