SCHEMBL4046264

SCHEMBL4046264

O=C(CCCN1CCCC(COc2nc3ccccc3s2)C1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.48
DRD4 P21917 5/20 0.48
DRD2 P14416 7/20 0.46
DRD3 P35462 6/20 0.45
HTR7 P34969 4/20 0.45
HTR1A P08908 4/20 0.45
TMEM97 Q5BJF2 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
HTR2C P28335 2/20 0.45
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
SLC6A4 P31645 1/20 0.44
LMNA P02545 1/20 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
SCHEMBL6648474 0.85 PTGS1 (0.46) KCNH2CYP2D6
SCHEMBL4224500 0.81 DRD2 (0.48) HTR2ADRD4DRD2DRD3HTR7
SCHEMBL4758750 0.80 DRD2 (0.48) HTR2ADRD4DRD2DRD3HTR7
SCHEMBL4048748 0.80 DRD2 (0.49) HTR2ADRD4DRD2DRD3HTR1A
SCHEMBL4705658 0.79 DRD2 (0.53) HTR2ADRD4DRD2DRD3HTR1A
SCHEMBL4051310 0.78 ALDH1A1 (0.51) HTR2ADRD4DRD2DRD3HTR1A
SCHEMBL4054675 0.78 CHRNB4 (0.53) HTR2ADRD4DRD2DRD3HTR1A
SCHEMBL4222884 0.78 TMEM97 (0.51) HTR2ADRD4DRD2DRD3HTR7
SCHEMBL4702149 0.77 TMEM97 (0.49) HTR2ADRD4DRD2DRD3HTR7
SCHEMBL4046282 0.77 ALDH1A1 (0.50) HTR2ADRD4DRD2DRD3HTR1A

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 HTR2A 1188/4885DRD4 388/4885DRD2 245/4885

“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.