SCHEMBL4054869

SCHEMBL4054869

O=C(CCCN1CCCC(COc2ccccc2NCc2ccccc2)C1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
HTR2A P28223 1/20 0.47
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
CACNA1B Q00975 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 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
SCHEMBL4052789 0.87 DRD2 (0.50) DRD2HTR2ADRD4DRD3MEN1
SCHEMBL4049282 0.87 DRD2 (0.48) DRD2HTR2ADRD4DRD3MEN1
SCHEMBL4048064 0.86 CHRNB2 (0.52) DRD2HTR2ACHRNB4CHRNA3CHRNB2
SCHEMBL4053431 0.86 CHRNB2 (0.52) DRD2HTR2ACHRNB4CHRNA3CHRNB2
SCHEMBL4046284 0.86 CHRNB2 (0.52) DRD2HTR2ACHRNB4CHRNA3CHRNB2
SCHEMBL6618307 0.85 CACNA1B (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CACNA1B
SCHEMBL4705658 0.84 DRD2 (0.53) DRD2HTR2ACHRNB4CHRNA3CHRNB2
SCHEMBL4047788 0.84 ALDH1A1 (0.47) DRD2HTR2ADRD4DRD3MEN1
SCHEMBL4047068 0.83 CCR3 (0.46) DRD2HTR2ADRD3MEN1KMT2A
SCHEMBL4054675 0.83 CHRNB4 (0.53) DRD2HTR2ACHRNB4CHRNA3CHRNB2

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 DRD2 245/4885HTR2A 1188/4885CHRNB4 1260/4885

“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.