SCHEMBL4053308

SCHEMBL4053308

Cc1noc2cccc(OCC3CCCN(CCCC(=O)c4ccc(F)cc4)C3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.47
DRD3 P35462 4/20 0.44
HTR1A P08908 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
DRD2 P14416 4/20 0.42
HTR2A P28223 3/20 0.42
DRD4 P21917 2/20 0.42

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
SCHEMBL4054812 0.84 HTR1A (0.44) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4049636 0.81 MEN1 (0.46) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4048748 0.80 DRD2 (0.49) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4054675 0.80 CHRNB4 (0.53) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4051310 0.80 ALDH1A1 (0.51) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4222884 0.79 TMEM97 (0.51) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4051698 0.79 ALDH1A1 (0.50) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4046282 0.79 ALDH1A1 (0.50) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4046988 0.79 DRD2 (0.47) DRD3HTR1AMEN1KMT2ACHRM2
SCHEMBL4705658 0.79 DRD2 (0.53) DRD3HTR1AMEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020409-A1 New piperidinyl derivatives as modulators of chemokine receptor activity AstraZeneca AB (SE) 2009-02-04 EP claimed
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-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 HTR4 1101/4885DRD3 164/4885HTR1A 650/4885

“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.