SCHEMBL4048079

SCHEMBL4048079

O=C(CCCN1CCCC(COc2ccccc2C(=O)NC2CC2)C1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD2 P14416 3/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 3/20 0.45
DRD4 P21917 1/20 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
OPRM1 P35372 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45

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
SCHEMBL4046290 0.90 ALDH1A1 (0.48) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4054675 0.89 CHRNB4 (0.53) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4705658 0.88 DRD2 (0.53) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4051310 0.88 ALDH1A1 (0.51) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4051698 0.87 ALDH1A1 (0.50) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4045253 0.86 ALDH1A1 (0.49) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4052789 0.83 DRD2 (0.50) ADRA1AADRA1DADRA1BDRD2ALDH1A1
SCHEMBL4049282 0.82 DRD2 (0.48) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4048748 0.82 DRD2 (0.49) ADRA1ADRD2ALDH1A1POLBHTR2A
SCHEMBL4048064 0.82 CHRNB2 (0.52) ADRA1ADRD2ALDH1A1POLBHTR2A

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 9 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-1421070-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO 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
EP-1421070-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES 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 (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 ADRA1A 185/4885ADRA1D 128/4885ADRA1B 259/4885

“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.