SCHEMBL4046344

SCHEMBL4046344

Cc1c(C2CCCN(CCCC(=O)c3ccc(F)cc3)C2)cccc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.53
HTR2C P28335 9/20 0.53
HTR1A P08908 3/20 0.53
SLC6A4 P31645 3/20 0.53
DRD4 P21917 3/20 0.53
DRD1 P21728 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 1/20 0.53
DRD2 P14416 4/20 0.50
DRD3 P35462 2/20 0.50
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRM1 P35372 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CCR3 P51677 1/20 0.49

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
SCHEMBL4046349 0.79 DRD2 (0.55) HTR2AHTR1ADRD4DRD1ADRA1A
SCHEMBL10834584 0.75 DRD2 (0.60) HTR1ADRD4DRD1ADRA1ADRD2
SCHEMBL10834383 0.74 DRD2 (0.61) HTR2AHTR2CHTR1ADRD1ADRA1A
Lumateperone SCHEMBL1769774 0.73 HTR2A (0.81) HTR2AHTR2CHTR1ASLC6A4DRD4
SCHEMBL4050900 0.72 DRD3 (0.60) HTR2AHTR1ADRD4DRD1ADRA1A
SCHEMBL27290922 0.72 HTR2A (0.59) HTR2AHTR2CHTR1ASLC6A4DRD4
Hydrochloric Acid SCHEMBL11617321 0.71 DRD2 (0.60) HTR2AHTR1ADRD4DRD1ADRA1A
SCHEMBL26273307 0.71 HTR2A (0.62) HTR2AHTR2CHTR1ASLC6A4DRD4
SCHEMBL4496558 0.71 TSHR (0.76) HTR2AHTR2CHTR1ASLC6A4DRD4
SCHEMBL6353997 0.70 ALDH1A1 (0.69) HTR2AHTR2CHTR1ADRD4DRD1

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 5 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 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 1188/4885HTR2C 1128/4885HTR1A 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.