SCHEMBL4054675

SCHEMBL4054675

COC(=O)c1ccccc1OCC1CCCN(CCCC(=O)c2ccc(F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.53
CHRNA3 P32297 2/20 0.53
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DRD3 P35462 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD1 P21728 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
DRD2 P14416 3/20 0.49
GAA P10253 1/20 0.49
HTR2A P28223 1/20 0.48

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
SCHEMBL4051310 0.93 ALDH1A1 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4046290 0.92 ALDH1A1 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4051698 0.92 ALDH1A1 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4705658 0.92 DRD2 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4045253 0.91 ALDH1A1 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4048079 0.89 ADRA1A (0.48) CHRNB4CHRNA3ALDH1A1POLBMEN1
SCHEMBL4053431 0.86 CHRNB2 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4048064 0.86 CHRNB2 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4046284 0.86 CHRNB2 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4046282 0.86 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2ADRD3

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 CHRNB4 1260/4885CHRNA3 642/4885CHRNB2 1235/4885

“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.